 Entering Gaussian System, Link 0=g16
 Input=22_phenylethanamine_conformer01_STD_wB97XD_def2SVPD.in
 Output=22_phenylethanamine_conformer01_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/Gau-11842.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     11858.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=22_phenylethanamine_conformer01_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "22_phenylethanamine_conformer01_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.111307000000     -1.069417000000     -0.102024000000
  C                                                 0.734884000000     -1.260349000000     -0.166437000000
  C                                                -0.144890000000     -0.185381000000     -0.068831000000
  C                                                 0.388544000000      1.093690000000      0.095425000000
  C                                                 1.760545000000      1.291465000000      0.161002000000
  C                                                 2.628739000000      0.208429000000      0.062356000000
  C                                                -1.647711000000     -0.410794000000     -0.128779000000
  N                                                -2.350691000000      0.384938000000     -1.140870000000
  C                                                -2.300778000000     -0.170753000000      1.231094000000
  H                                                -1.882449000000      0.311028000000     -2.037050000000
  H                                                -1.804291000000     -1.459889000000     -0.395933000000
  H                                                -1.843351000000     -0.797458000000      1.996908000000
  H                                                -3.367500000000     -0.390246000000      1.178808000000
  H                                                -2.178114000000      0.871199000000      1.538101000000
  H                                                -0.274240000000      1.947756000000      0.170051000000
  H                                                 2.155180000000      2.291537000000      0.289393000000
  H                                                 3.698964000000      0.362116000000      0.110832000000
  H                                                 2.777726000000     -1.918812000000     -0.183587000000
  H                                                 0.336513000000     -2.260101000000     -0.296821000000
  H                                                -2.347436000000      1.366960000000     -0.887454000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          14          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  14.0030740  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           2           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   4.5500000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   7.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.111307   -1.069417   -0.102024
      2          6           0        0.734884   -1.260349   -0.166437
      3          6           0       -0.144890   -0.185381   -0.068831
      4          6           0        0.388544    1.093690    0.095425
      5          6           0        1.760545    1.291465    0.161002
      6          6           0        2.628739    0.208429    0.062356
      7          6           0       -1.647711   -0.410794   -0.128779
      8          7           0       -2.350691    0.384938   -1.140870
      9          6           0       -2.300778   -0.170753    1.231094
     10          1           0       -1.882449    0.311028   -2.037050
     11          1           0       -1.804291   -1.459889   -0.395933
     12          1           0       -1.843351   -0.797458    1.996908
     13          1           0       -3.367500   -0.390246    1.178808
     14          1           0       -2.178114    0.871199    1.538101
     15          1           0       -0.274240    1.947756    0.170051
     16          1           0        2.155180    2.291537    0.289393
     17          1           0        3.698964    0.362116    0.110832
     18          1           0        2.777726   -1.918812   -0.183587
     19          1           0        0.336513   -2.260101   -0.296821
     20          1           0       -2.347436    1.366960   -0.887454
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.391095   0.000000
     3  C    2.423437   1.392510   0.000000
     4  C    2.772351   2.393747   1.395548   0.000000
     5  C    2.401246   2.769648   2.421689   1.387733   0.000000
     6  C    1.388397   2.407559   2.804517   2.408994   1.391567
     7  C    3.816375   2.529806   1.520814   2.541668   3.820716
     8  N    4.806639   3.630050   2.517953   3.087744   4.406691
     9  C    4.695881   3.515047   2.517513   3.181354   4.447193
    10  H    4.647584   3.580342   2.671969   3.212074   4.366245
    11  H    3.945980   2.557322   2.117777   3.401577   4.537420
    12  H    4.485398   3.397297   2.743481   3.489045   4.552166
    13  H    5.667374   4.404125   3.461761   4.181346   5.491896
    14  H    4.985492   3.991805   2.798677   2.952719   4.193574
    15  H    3.855929   3.379866   2.150365   1.083642   2.138025
    16  H    3.383954   3.852391   3.399084   2.143237   1.082758
    17  H    2.148313   3.390434   3.886804   3.390327   2.150273
    18  H    1.082700   2.146409   3.399947   3.855024   3.385155
    19  H    2.146059   1.084068   2.142006   3.377052   3.853711
    20  H    5.141325   4.113796   2.816224   2.919985   4.240338
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.325274   0.000000
     8  N    5.125781   1.466867   0.000000
     9  C    5.080341   1.527537   2.436698   0.000000
    10  H    4.976831   2.053686   1.013830   3.329846   0.000000
    11  H    4.758684   1.093841   2.063219   2.134382   2.415682
    12  H    4.975328   2.169408   3.391328   1.090170   4.183669
    13  H    6.128602   2.160528   2.648720   1.090324   3.610942
    14  H    5.071777   2.168714   2.728208   1.093144   3.630828
    15  H    3.385874   2.745629   2.910767   3.117812   3.183789
    16  H    2.148288   4.683956   5.097416   5.177377   5.063319
    17  H    1.082290   5.407563   6.177832   6.126650   5.980650
    18  H    2.146588   4.675641   5.703009   5.554119   5.488601
    19  H    3.387765   2.717594   3.863899   3.695295   3.816136
    20  H    5.196792   2.055629   1.014198   2.618202   1.628735
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.483149   0.000000
    13  H    2.463243   1.777115   0.000000
    14  H    3.051918   1.762665   1.770586   0.000000
    15  H    3.778020   3.651810   4.006507   2.579781   0.000000
    16  H    5.497297   5.333456   6.203468   4.728009   2.456524
    17  H    5.819135   5.968178   7.186204   6.069292   4.278330
    18  H    4.609835   5.231285   6.477379   5.942114   4.938614
    19  H    2.287620   3.486018   4.403811   4.415351   4.277505
    20  H    2.920218   3.641202   2.897886   2.481485   2.398704
                   16         17         18         19         20
    16  H    0.000000
    17  H    2.477462   0.000000
    18  H    4.282326   2.477498   0.000000
    19  H    4.936457   4.283489   2.467554   0.000000
    20  H    4.744825   6.210092   6.128541   4.550604   0.000000
 Stoichiometry    C8H11N
 Framework group  C1[X(C8H11N)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.93D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.111307   -1.069417   -0.102024
      2          6           0        0.734884   -1.260349   -0.166437
      3          6           0       -0.144890   -0.185381   -0.068831
      4          6           0        0.388544    1.093690    0.095425
      5          6           0        1.760545    1.291465    0.161002
      6          6           0        2.628739    0.208429    0.062356
      7          6           0       -1.647711   -0.410794   -0.128779
      8          7           0       -2.350691    0.384938   -1.140870
      9          6           0       -2.300778   -0.170753    1.231094
     10          1           0       -1.882449    0.311028   -2.037050
     11          1           0       -1.804291   -1.459889   -0.395933
     12          1           0       -1.843351   -0.797458    1.996908
     13          1           0       -3.367500   -0.390246    1.178808
     14          1           0       -2.178114    0.871199    1.538101
     15          1           0       -0.274240    1.947756    0.170051
     16          1           0        2.155180    2.291537    0.289393
     17          1           0        3.698964    0.362116    0.110832
     18          1           0        2.777726   -1.918812   -0.183587
     19          1           0        0.336513   -2.260101   -0.296821
     20          1           0       -2.347436    1.366960   -0.887454
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4368554           1.0875586           0.9903475
 Leave Link  202 at Fri Aug 13 10:47:07 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   286 symmetry adapted cartesian basis functions of A   symmetry.
 There are   268 symmetry adapted basis functions of A   symmetry.
   268 basis functions,   398 primitive gaussians,   286 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.1332285289 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0116223812 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.1216061477 Hartrees.
 Leave Link  301 at Fri Aug 13 10:47:08 2021, MaxMem=  5368709120 cpu:               7.4 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   268 RedAO= T EigKep=  5.07D-06  NBF=   268
 NBsUse=   268 1.00D-06 EigRej= -1.00D+00 NBFU=   268
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   286   286   286   286   286 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               3.6 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "22_phenylethanamine_conformer01_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               3.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368540348 LenY=  5368458111
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -365.858655006380    
 DIIS: error= 3.80D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -365.858655006380     IErMin= 1 ErrMin= 3.80D-03
 ErrMax= 3.80D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.24D-03 BMatP= 8.24D-03
 IDIUse=3 WtCom= 9.62D-01 WtEn= 3.80D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.368 Goal=   None    Shift=    0.000
 GapD=    0.368 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.10D-02 MaxDP=3.86D-01              OVMax= 1.53D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.07D-03    CP:  1.19D+00
 E= -365.865738922899     Delta-E=       -0.007083916519 Rises=F Damp=F
 DIIS: error= 5.39D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -365.865738922899     IErMin= 2 ErrMin= 5.39D-04
 ErrMax= 5.39D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.65D-04 BMatP= 8.24D-03
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.39D-03
 Coeff-Com: -0.518D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.515D-01 0.105D+01
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=1.87D-03 MaxDP=5.82D-02 DE=-7.08D-03 OVMax= 5.69D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.20D-04    CP:  1.23D+00  1.12D+00
 E= -365.865990793273     Delta-E=       -0.000251870375 Rises=F Damp=F
 DIIS: error= 3.03D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -365.865990793273     IErMin= 3 ErrMin= 3.03D-04
 ErrMax= 3.03D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.52D-05 BMatP= 1.65D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.03D-03
 Coeff-Com: -0.419D-01 0.422D+00 0.620D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.418D-01 0.421D+00 0.621D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=2.11D-04 MaxDP=2.22D-02 DE=-2.52D-04 OVMax= 1.79D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.88D-04    CP:  1.23D+00  1.13D+00  1.02D+00
 E= -365.866060536688     Delta-E=       -0.000069743415 Rises=F Damp=F
 DIIS: error= 7.67D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -365.866060536688     IErMin= 4 ErrMin= 7.67D-05
 ErrMax= 7.67D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.74D-06 BMatP= 7.52D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.417D-02-0.172D-01 0.102D+00 0.920D+00
 Coeff:     -0.417D-02-0.172D-01 0.102D+00 0.920D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=6.19D-05 MaxDP=4.04D-03 DE=-6.97D-05 OVMax= 9.00D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.34D-05    CP:  1.23D+00  1.13D+00  1.06D+00  1.16D+00
 E= -365.866064429999     Delta-E=       -0.000003893310 Rises=F Damp=F
 DIIS: error= 2.81D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -365.866064429999     IErMin= 5 ErrMin= 2.81D-05
 ErrMax= 2.81D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.73D-07 BMatP= 2.74D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.143D-02-0.349D-01-0.134D-01 0.337D+00 0.710D+00
 Coeff:      0.143D-02-0.349D-01-0.134D-01 0.337D+00 0.710D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=3.09D-05 MaxDP=3.17D-03 DE=-3.89D-06 OVMax= 2.93D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.52D-05    CP:  1.23D+00  1.14D+00  1.08D+00  1.25D+00  1.03D+00
 E= -365.866065130801     Delta-E=       -0.000000700803 Rises=F Damp=F
 DIIS: error= 9.71D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -365.866065130801     IErMin= 6 ErrMin= 9.71D-06
 ErrMax= 9.71D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.84D-08 BMatP= 5.73D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.798D-03-0.884D-02-0.127D-01 0.100D-01 0.192D+00 0.819D+00
 Coeff:      0.798D-03-0.884D-02-0.127D-01 0.100D-01 0.192D+00 0.819D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=1.00D-05 MaxDP=1.08D-03 DE=-7.01D-07 OVMax= 1.40D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.03D-06    CP:  1.23D+00  1.14D+00  1.08D+00  1.29D+00  1.09D+00
                    CP:  1.23D+00
 E= -365.866065205279     Delta-E=       -0.000000074478 Rises=F Damp=F
 DIIS: error= 2.16D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -365.866065205279     IErMin= 7 ErrMin= 2.16D-06
 ErrMax= 2.16D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.40D-09 BMatP= 3.84D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.168D-03 0.400D-02 0.235D-02-0.374D-01-0.851D-01-0.375D-01
 Coeff-Com:  0.115D+01
 Coeff:     -0.168D-03 0.400D-02 0.235D-02-0.374D-01-0.851D-01-0.375D-01
 Coeff:      0.115D+01
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=5.87D-06 MaxDP=7.81D-04 DE=-7.45D-08 OVMax= 7.65D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.46D-06    CP:  1.23D+00  1.14D+00  1.08D+00  1.32D+00  1.12D+00
                    CP:  1.43D+00  1.30D+00
 E= -365.866065215260     Delta-E=       -0.000000009981 Rises=F Damp=F
 DIIS: error= 8.68D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -365.866065215260     IErMin= 8 ErrMin= 8.68D-07
 ErrMax= 8.68D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.46D-10 BMatP= 2.40D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.112D-03 0.214D-02 0.170D-02-0.160D-01-0.467D-01-0.615D-01
 Coeff-Com:  0.485D+00 0.635D+00
 Coeff:     -0.112D-03 0.214D-02 0.170D-02-0.160D-01-0.467D-01-0.615D-01
 Coeff:      0.485D+00 0.635D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=1.03D-06 MaxDP=1.32D-04 DE=-9.98D-09 OVMax= 1.40D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.07D-07    CP:  1.23D+00  1.14D+00  1.08D+00  1.32D+00  1.13D+00
                    CP:  1.46D+00  1.36D+00  1.10D+00
 E= -365.866065216044     Delta-E=       -0.000000000784 Rises=F Damp=F
 DIIS: error= 2.84D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -365.866065216044     IErMin= 9 ErrMin= 2.84D-07
 ErrMax= 2.84D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.99D-11 BMatP= 5.46D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.555D-05-0.729D-04 0.990D-04 0.204D-02 0.849D-03-0.111D-01
 Coeff-Com: -0.671D-01 0.181D+00 0.894D+00
 Coeff:     -0.555D-05-0.729D-04 0.990D-04 0.204D-02 0.849D-03-0.111D-01
 Coeff:     -0.671D-01 0.181D+00 0.894D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=5.28D-07 MaxDP=6.79D-05 DE=-7.84D-10 OVMax= 6.42D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.37D-07    CP:  1.23D+00  1.14D+00  1.08D+00  1.32D+00  1.13D+00
                    CP:  1.47D+00  1.39D+00  1.20D+00  1.08D+00
 E= -365.866065216168     Delta-E=       -0.000000000124 Rises=F Damp=F
 DIIS: error= 9.61D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -365.866065216168     IErMin=10 ErrMin= 9.61D-08
 ErrMax= 9.61D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.81D-12 BMatP= 4.99D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.769D-05-0.207D-03-0.113D-03 0.207D-02 0.410D-02 0.158D-02
 Coeff-Com: -0.632D-01 0.810D-02 0.301D+00 0.746D+00
 Coeff:      0.769D-05-0.207D-03-0.113D-03 0.207D-02 0.410D-02 0.158D-02
 Coeff:     -0.632D-01 0.810D-02 0.301D+00 0.746D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=1.12D-07 MaxDP=1.17D-05 DE=-1.24D-10 OVMax= 1.62D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.62D-08    CP:  1.23D+00  1.14D+00  1.08D+00  1.32D+00  1.13D+00
                    CP:  1.47D+00  1.39D+00  1.23D+00  1.13D+00  1.12D+00
 E= -365.866065216158     Delta-E=        0.000000000010 Rises=F Damp=F
 DIIS: error= 3.09D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -365.866065216168     IErMin=11 ErrMin= 3.09D-08
 ErrMax= 3.09D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.31D-13 BMatP= 4.81D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.276D-05-0.527D-04-0.426D-04 0.410D-03 0.107D-02 0.169D-02
 Coeff-Com: -0.113D-01-0.187D-01-0.122D-01 0.231D+00 0.808D+00
 Coeff:      0.276D-05-0.527D-04-0.426D-04 0.410D-03 0.107D-02 0.169D-02
 Coeff:     -0.113D-01-0.187D-01-0.122D-01 0.231D+00 0.808D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=2.66D-08 MaxDP=1.39D-06 DE= 1.02D-11 OVMax= 4.98D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.58D-08    CP:  1.23D+00  1.14D+00  1.08D+00  1.32D+00  1.13D+00
                    CP:  1.47D+00  1.39D+00  1.23D+00  1.14D+00  1.21D+00
                    CP:  1.09D+00
 E= -365.866065216180     Delta-E=       -0.000000000022 Rises=F Damp=F
 DIIS: error= 6.49D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -365.866065216180     IErMin=12 ErrMin= 6.49D-09
 ErrMax= 6.49D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.21D-14 BMatP= 5.31D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.138D-06 0.110D-04 0.856D-06-0.139D-03-0.244D-03 0.234D-03
 Coeff-Com:  0.506D-02-0.569D-02-0.399D-01-0.294D-01 0.192D+00 0.878D+00
 Coeff:     -0.138D-06 0.110D-04 0.856D-06-0.139D-03-0.244D-03 0.234D-03
 Coeff:      0.506D-02-0.569D-02-0.399D-01-0.294D-01 0.192D+00 0.878D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=9.78D-09 MaxDP=4.15D-07 DE=-2.17D-11 OVMax= 1.77D-07

 SCF Done:  E(RwB97XD) =  -365.866065216     A.U. after   12 cycles
            NFock= 12  Conv=0.98D-08     -V/T= 2.0119
 KE= 3.615734361173D+02 PE=-1.696515447552D+03 EE= 5.439543400707D+02
 Leave Link  502 at Fri Aug 13 10:49:00 2021, MaxMem=  5368709120 cpu:             872.7 elap:             109.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   268
 NBasis=   268 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    268 NOA=    33 NOB=    33 NVA=   235 NVB=   235

 **** Warning!!: The largest alpha MO coefficient is  0.74850720D+02

 Leave Link  801 at Fri Aug 13 10:49:00 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6045 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.29D-13 8.33D-09 XBig12= 1.00D+00 4.23D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.29D-13 8.33D-09 XBig12= 1.92D-01 8.10D-02.
     11 vectors produced by pass  2 Test12= 1.29D-13 8.33D-09 XBig12= 3.48D-02 6.47D-02.
     11 vectors produced by pass  3 Test12= 1.29D-13 8.33D-09 XBig12= 3.11D-03 1.40D-02.
     11 vectors produced by pass  4 Test12= 1.29D-13 8.33D-09 XBig12= 4.83D-04 5.26D-03.
     11 vectors produced by pass  5 Test12= 1.29D-13 8.33D-09 XBig12= 2.52D-05 7.96D-04.
     11 vectors produced by pass  6 Test12= 1.29D-13 8.33D-09 XBig12= 8.74D-07 1.63D-04.
     11 vectors produced by pass  7 Test12= 1.29D-13 8.33D-09 XBig12= 1.87D-08 2.12D-05.
     11 vectors produced by pass  8 Test12= 1.29D-13 8.33D-09 XBig12= 3.59D-10 3.13D-06.
      9 vectors produced by pass  9 Test12= 1.29D-13 8.33D-09 XBig12= 8.88D-12 4.62D-07.
      7 vectors produced by pass 10 Test12= 1.29D-13 8.33D-09 XBig12= 1.56D-13 6.10D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   115 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.132724D+03
      2 -0.294144D+00  0.106101D+03
      3  0.727062D+00  0.259329D+01  0.759198D+02
 Isotropic polarizability for W=    0.085645      104.91 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.712075D+02  0.741054D+00  0.803152D+00
      2  -0.144968D+02  0.281106D+00 -0.607979D+01
      3  -0.567107D+02 -0.102216D+01  0.527664D+01
      4   0.220269D+01  0.738465D+02  0.179202D+02
      5   0.136944D+02  0.181568D+02 -0.440992D+02
      6   0.740831D+01  0.777732D+01 -0.571280D+00
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.370755D+00  0.294957D+01  0.174318D+01
      2   0.106615D+00  0.785082D+01 -0.178041D+02
      3  -0.543689D+01 -0.354342D+02 -0.795742D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.236677D+00  0.138571D+02 -0.450880D+00
      2  -0.128913D+02  0.105118D+02  0.126115D+02
      3   0.146163D+01 -0.883433D+02 -0.107485D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.586781D-02 -0.643316D+00  0.104977D+01
      2  -0.643316D+00 -0.153613D+01  0.384311D+01
      3   0.104977D+01  0.384311D+01  0.105290D+01
 OR G Eigenvalues:    -4.5795     0.2271     3.8750  Iso=     0.1591
 Eigenvectors:
   (1)   0.241590   0.780012  -0.577249
   (2)   0.961963  -0.270683   0.036838
   (3)   0.127517   0.564192   0.815737
 w=    0.085645 a.u., Optical Rotation Beta=      0.1591 au.
 Molar Mass =    121.1816 grams/mole, [Alpha] ( 5320.0 A) =       62.27 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   36046 ScalPx= 2.01D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   36046 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.12D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.15D-14 2.78D-09 XBig12= 1.00D+00 3.70D-01.
     30 vectors produced by pass  1 Test12= 2.15D-14 2.78D-09 XBig12= 5.37D-02 4.32D-02.
     30 vectors produced by pass  2 Test12= 2.15D-14 2.78D-09 XBig12= 1.86D-03 6.32D-03.
     30 vectors produced by pass  3 Test12= 2.15D-14 2.78D-09 XBig12= 2.13D-05 7.31D-04.
     30 vectors produced by pass  4 Test12= 2.15D-14 2.78D-09 XBig12= 2.43D-07 7.95D-05.
     30 vectors produced by pass  5 Test12= 2.15D-14 2.78D-09 XBig12= 3.04D-09 8.57D-06.
     30 vectors produced by pass  6 Test12= 2.15D-14 2.78D-09 XBig12= 2.96D-11 6.38D-07.
     30 vectors produced by pass  7 Test12= 2.15D-14 2.78D-09 XBig12= 2.08D-13 5.46D-08.
      6 vectors produced by pass  8 Test12= 2.15D-14 2.78D-09 XBig12= 1.63D-15 3.91D-09.
      4 vectors produced by pass  9 Test12= 2.15D-14 2.78D-09 XBig12= 2.12D-15 6.93D-09.
      2 vectors produced by pass 10 Test12= 2.15D-14 2.78D-09 XBig12= 2.24D-15 5.91D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   252 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   36046 ScalPx= 6.99D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   36046 ScalPx= 6.99D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   36046 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.22D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.132724D+03 -0.294144D+00  0.727062D+00
      2  -0.294144D+00  0.106101D+03  0.259329D+01
      3   0.727062D+00  0.259329D+01  0.759198D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.370755D+00  0.294957D+01  0.174318D+01
      2   0.106615D+00  0.785082D+01 -0.178041D+02
      3  -0.543689D+01 -0.354342D+02 -0.795742D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.712075D+02  0.741054D+00  0.803152D+00
      2  -0.144968D+02  0.281106D+00 -0.607979D+01
      3  -0.567107D+02 -0.102216D+01  0.527664D+01
      4   0.220269D+01  0.738465D+02  0.179202D+02
      5   0.136944D+02  0.181568D+02 -0.440992D+02
      6   0.740831D+01  0.777732D+01 -0.571280D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.262030D+01 -0.890080D+00 -0.257586D+00 -0.547169D+01 -0.104446D+01
      2  -0.890080D+00  0.313975D+01  0.319904D+00 -0.104446D+01 -0.640527D+00
      3  -0.257586D+00  0.319904D+00  0.134139D+01 -0.515912D+00  0.530979D+00
                 6             7             8             9            10 
      1  -0.515912D+00 -0.129030D+01 -0.351429D+00  0.281179D+01  0.595567D+01
      2   0.530979D+00 -0.351429D+00  0.901572D+00 -0.338789D+01  0.244599D+01
      3  -0.154999D+01  0.281179D+01 -0.338789D+01 -0.815853D+00  0.667816D+00
                11            12            13            14            15 
      1   0.244599D+01  0.667816D+00 -0.712689D+01 -0.285752D+00 -0.563900D-01
      2  -0.234747D+01 -0.118374D-01 -0.285752D+00 -0.152775D+01  0.595682D+00
      3  -0.118374D-01 -0.725621D+00 -0.563900D-01  0.595682D+00 -0.201925D+01
                16            17            18            19            20 
      1  -0.638306D+00  0.585138D+00 -0.120027D+01 -0.180825D+02 -0.123549D+01
      2   0.585138D+00  0.786716D+00 -0.415316D+01 -0.123549D+01 -0.228330D+01
      3  -0.120027D+01 -0.415316D+01 -0.147688D+01 -0.213541D+00  0.215216D-01
                21            22            23            24            25 
      1  -0.213541D+00 -0.252537D+01  0.192065D+01  0.809972D+00 -0.231368D+00
      2   0.215216D-01  0.192065D+01 -0.581211D+00 -0.806310D-01  0.558052D+00
      3  -0.213808D+01  0.809972D+00 -0.806310D-01  0.190915D+00 -0.414047D+01
                26            27            28            29            30 
      1   0.558052D+00 -0.414047D+01  0.432388D+01 -0.707062D+00  0.449961D+00
      2  -0.320255D+00 -0.350347D+00 -0.707062D+00 -0.332941D+01 -0.335952D+00
      3  -0.350347D+00  0.769493D-01  0.449961D+00 -0.335952D+00 -0.118670D+01
                31            32            33            34            35 
      1   0.832851D+01 -0.273788D+00  0.339244D+00  0.141335D+01  0.371773D-01
      2  -0.273788D+00  0.807495D+00 -0.488846D+00  0.371773D-01 -0.819774D+00
      3   0.339244D+00 -0.488846D+00  0.163699D+01 -0.176063D+01  0.332298D+01
                36            37            38            39            40 
      1  -0.176063D+01 -0.483051D+01 -0.462291D+00 -0.425710D+00  0.552486D+01
      2   0.332298D+01 -0.462291D+00  0.192849D+01 -0.286617D-01  0.440139D-01
      3   0.677849D+00 -0.425710D+00 -0.286617D-01  0.724888D+00 -0.430648D-01
                41            42            43            44            45 
      1   0.440139D-01 -0.430648D-01  0.254762D+00 -0.358210D+00  0.194477D+01
      2   0.133414D+01 -0.569677D+00 -0.358210D+00 -0.734493D+00  0.398602D+01
      3  -0.569677D+00  0.181732D+01  0.194477D+01  0.398602D+01  0.134895D+01
                46            47            48            49            50 
      1   0.655916D+01  0.252414D+00  0.267064D-01  0.320355D+00 -0.385372D+00
      2   0.252414D+00  0.316079D+01  0.928761D-01 -0.385372D+00 -0.134561D+00
      3   0.267064D-01  0.928761D-01  0.231244D+01 -0.824882D+00 -0.158233D+00
                51            52            53            54            55 
      1  -0.824882D+00 -0.110013D+00 -0.694289D+00  0.562113D+01  0.351699D+01
      2  -0.158233D+00 -0.694289D+00 -0.469235D-01  0.647605D+00 -0.138256D+00
      3   0.244334D+00  0.562113D+01  0.647605D+00  0.488579D+00 -0.984805D+00
                56            57            58            59            60 
      1  -0.138256D+00 -0.984805D+00 -0.334508D+01  0.106653D+01 -0.109821D+01
      2   0.170803D-01 -0.755237D+00  0.106653D+01  0.611877D+01  0.203177D+01
      3  -0.755237D+00  0.302660D+01 -0.109821D+01  0.203177D+01 -0.107499D+01
                61            62            63            64            65 
      1  -0.871683D+00 -0.813584D+00  0.579721D+01 -0.372596D+01  0.107462D+01
      2  -0.813584D+00  0.139694D+01 -0.238451D+00  0.107462D+01 -0.109878D+00
      3   0.579721D+01 -0.238451D+00 -0.179860D+01 -0.982829D+00  0.941175D+00
                66            67            68            69            70 
      1  -0.982829D+00  0.314004D+01 -0.950544D+00  0.520510D+00 -0.222501D+01
      2   0.941175D+00 -0.950544D+00 -0.469271D+01 -0.120516D+01  0.596692D+00
      3  -0.463246D+01  0.520510D+00 -0.120516D+01  0.306251D+00 -0.470605D+01
                71            72            73            74            75 
      1   0.596692D+00 -0.470605D+01  0.807374D+01  0.201344D+01 -0.495112D+00
      2  -0.575324D+00  0.204947D+00  0.201344D+01 -0.955056D+00  0.733828D+00
      3   0.204947D+00  0.239804D+01 -0.495112D+00  0.733828D+00 -0.346994D+01
                76            77            78            79            80 
      1   0.322011D+01 -0.688636D+00  0.552217D+00  0.390232D+01  0.856989D+00
      2  -0.688636D+00 -0.363801D+01 -0.321045D+01  0.856989D+00 -0.268082D+01
      3   0.552217D+00 -0.321045D+01  0.189992D+01 -0.461730D+01  0.126708D+01
                81            82            83            84            85 
      1  -0.461730D+01  0.169071D+00 -0.134527D+00 -0.702786D+00 -0.714211D+00
      2   0.126708D+01 -0.134527D+00  0.280513D+00 -0.236993D+00 -0.288634D-01
      3   0.871559D+00 -0.702786D+00 -0.236993D+00  0.291862D+01  0.542450D-01
                86            87            88            89            90 
      1  -0.288634D-01  0.542450D-01 -0.147203D+01  0.762309D-01  0.902166D+00
      2   0.130378D+00 -0.829293D+00  0.762309D-01 -0.104863D+01  0.543752D+00
      3  -0.829293D+00 -0.414652D+00  0.902166D+00  0.543752D+00 -0.783339D+01
                91            92            93            94            95 
      1  -0.717536D-01 -0.126745D+01 -0.258783D+00 -0.222932D+01 -0.158909D+01
      2  -0.126745D+01 -0.995567D+00 -0.161621D+00 -0.158909D+01 -0.698503D+01
      3  -0.258783D+00 -0.161621D+00 -0.703197D+00 -0.164626D+00 -0.122350D+01
                96            97            98            99           100 
      1  -0.164626D+00 -0.219396D+00 -0.138104D+00 -0.982902D+00  0.340921D+00
      2  -0.122350D+01 -0.138104D+00 -0.133245D+01 -0.115708D+01 -0.785295D+00
      3  -0.157614D+01 -0.982902D+00 -0.115708D+01 -0.846528D+00  0.791721D+00
               101           102           103           104           105 
      1  -0.785295D+00  0.791721D+00 -0.131997D+01  0.214608D+00 -0.767020D-01
      2   0.877339D+00 -0.785147D+00  0.214608D+00 -0.190767D+01  0.220263D+01
      3  -0.785147D+00  0.226517D+01 -0.767020D-01  0.220263D+01 -0.292326D+01
               106           107           108           109           110 
      1   0.737830D+00 -0.267496D+00  0.512527D+00 -0.129616D+02 -0.156948D+01
      2  -0.267496D+00  0.195177D+01 -0.212198D+01 -0.156948D+01 -0.119626D+01
      3   0.512527D+00 -0.212198D+01  0.513211D+01  0.203946D+01  0.205071D+00
               111           112           113           114           115 
      1   0.203946D+01 -0.224400D+01 -0.144891D+01  0.416239D+00 -0.575613D+00
      2   0.205071D+00 -0.144891D+01 -0.419321D+00  0.528933D+00 -0.379530D-01
      3  -0.164404D+01  0.416239D+00  0.528933D+00 -0.640560D+00 -0.625713D+00
               116           117           118           119           120 
      1  -0.379530D-01 -0.625713D+00 -0.450062D+00  0.608576D+00  0.211976D+00
      2   0.861834D-01 -0.311090D+00  0.608576D+00  0.263567D+00  0.178698D-02
      3  -0.311090D+00  0.129941D-02  0.211976D+00  0.178698D-02  0.710447D+00
               121           122           123           124           125 
      1   0.184057D+01 -0.548768D+00 -0.794823D+00  0.256477D+00 -0.262021D+00
      2  -0.548768D+00  0.535485D+01  0.214341D+01 -0.262021D+00  0.149751D+01
      3  -0.794823D+00  0.214341D+01  0.246540D+01  0.104312D+00  0.110580D+01
               126           127           128           129           130 
      1   0.104312D+00 -0.343094D+01  0.227857D+01  0.117153D+00  0.274445D+01
      2   0.110580D+01  0.227857D+01 -0.245616D+01 -0.149968D+00 -0.284522D+01
      3   0.157425D+01  0.117153D+00 -0.149968D+00 -0.402890D+00 -0.233347D+00
               131           132           133           134           135 
      1  -0.284522D+01 -0.233347D+00  0.180613D+00 -0.275960D+00  0.130770D+00
      2   0.579148D+01  0.446186D+00 -0.275960D+00  0.535997D+00  0.401487D-01
      3   0.446186D+00  0.793748D+00  0.130770D+00  0.401487D-01  0.830603D-01
               136           137           138           139           140 
      1   0.217988D+01  0.256802D+01  0.337145D+00  0.233232D+01  0.379202D+01
      2   0.256802D+01  0.278655D+01  0.343941D+00  0.379202D+01  0.950967D+01
      3   0.337145D+00  0.343941D+00  0.385505D+00  0.475686D+00  0.107004D+01
               141           142           143           144           145 
      1   0.475686D+00  0.483840D+00  0.518804D+00  0.115015D+00  0.128750D+02
      2   0.107004D+01  0.518804D+00  0.122189D+01  0.201490D+00  0.140910D+01
      3   0.105349D+01  0.115015D+00  0.201490D+00  0.152592D+00  0.479554D+00
               146           147           148           149           150 
      1   0.140910D+01  0.479554D+00  0.141106D+01  0.173743D+01  0.236540D+00
      2   0.942100D+00  0.342183D-01  0.173743D+01  0.544468D+00  0.869366D-01
      3   0.342183D-01  0.987876D+00  0.236540D+00  0.869366D-01  0.152752D+00
               151           152           153           154           155 
      1   0.549731D+00  0.239034D+00 -0.504473D-01  0.499290D+01 -0.387198D+01
      2   0.239034D+00  0.645592D-01  0.206693D-01 -0.387198D+01  0.350390D+01
      3  -0.504473D-01  0.206693D-01  0.567330D-01 -0.324917D+00  0.247833D+00
               156           157           158           159           160 
      1  -0.324917D+00 -0.382590D+01  0.445194D+01  0.431775D+00 -0.326915D+00
      2   0.247833D+00  0.445194D+01 -0.659100D+01 -0.571047D+00  0.401159D+00
      3   0.616105D+00  0.431775D+00 -0.571047D+00 -0.846230D+00  0.132172D+00
               161           162           163           164           165 
      1   0.401159D+00  0.132172D+00 -0.151403D+01 -0.170809D+01 -0.243043D+00
      2  -0.696870D+00 -0.750619D-01 -0.170809D+01 -0.224950D+01 -0.296360D+00
      3  -0.750619D-01 -0.681612D-01 -0.243043D+00 -0.296360D+00 -0.252721D+00
               166           167           168           169           170 
      1  -0.167042D+01 -0.189897D+01 -0.277078D+00 -0.510553D-01 -0.355790D+00
      2  -0.189897D+01 -0.876008D+01 -0.994695D+00 -0.355790D+00 -0.116717D+01
      3  -0.277078D+00 -0.994695D+00 -0.100635D+01  0.130033D+00 -0.170202D+00
               171           172           173           174           175 
      1   0.130033D+00 -0.129953D+01  0.119263D+00 -0.232381D+00  0.161058D+01
      2  -0.170202D+00  0.119263D+00 -0.977458D+00 -0.180378D+00 -0.123883D+01
      3  -0.116692D+00 -0.232381D+00 -0.180378D+00 -0.133395D+00  0.248608D+00
               176           177           178           179           180 
      1  -0.123883D+01  0.248608D+00  0.232759D+00 -0.314440D+00 -0.118118D+00
      2   0.628663D+01 -0.305036D+00 -0.314440D+00  0.979578D+00  0.624750D+00
      3  -0.305036D+00  0.149029D+01 -0.118118D+00  0.624750D+00  0.941390D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.883131D+00 -0.415670D+00  0.173209D+01 -0.121746D+01 -0.414146D+00
      2  -0.141086D+00  0.784626D+00  0.244091D+01 -0.342836D+00  0.174454D+01
      3   0.680495D+01 -0.920498D+01 -0.421262D+00  0.847393D+01  0.207393D+01
                 6             7             8             9            10 
      1  -0.146456D+01  0.666421D+01  0.384579D+01  0.525069D+00  0.905934D+00
      2  -0.449739D+01 -0.313405D+01 -0.106544D+02 -0.202080D+01  0.844186D+00
      3  -0.595244D+00  0.719991D+00 -0.144155D+01  0.534906D+01 -0.973592D+01
                11            12            13            14            15 
      1   0.626743D+00 -0.124581D+01  0.323166D+00  0.438643D+00 -0.231368D+01
      2   0.890839D+00 -0.715526D+00  0.176641D+01 -0.311814D+00 -0.129901D+01
      3  -0.474575D+01 -0.143416D+01  0.439479D+01  0.672820D+01 -0.846536D-01
                16            17            18            19            20 
      1  -0.492084D+01  0.604961D+00 -0.326693D+00 -0.139496D+01 -0.910133D-01
      2  -0.129212D+02 -0.206077D+01 -0.128918D+01 -0.334139D+01 -0.410148D-01
      3  -0.583617D+00 -0.670304D+00  0.593686D+01  0.509764D+01  0.713664D+01
                21            22            23            24            25 
      1   0.141069D+00 -0.942212D+00 -0.187944D+01  0.793555D+00 -0.895495D+00
      2  -0.187324D+01 -0.939403D+00  0.675645D+00 -0.100467D+01 -0.165628D+02
      3   0.607068D+00  0.188144D+02  0.118231D+01 -0.684997D-02 -0.985008D+00
                26            27            28            29            30 
      1   0.101517D+02  0.157267D+01  0.140572D+00 -0.294200D+00  0.183470D+01
      2   0.119940D+00 -0.191078D+01  0.531941D+00  0.140286D+00 -0.970500D+00
      3  -0.243845D+00  0.946317D+00 -0.141223D+01  0.802813D+00  0.414456D+00
                31            32            33            34            35 
      1   0.310896D+00  0.535154D-01 -0.165183D+01  0.729268D+01  0.345613D+01
      2   0.179647D+01  0.234936D+00  0.142003D+01 -0.126142D+02  0.510617D+00
      3  -0.185259D+01 -0.704643D+01 -0.236699D+00 -0.107865D+01  0.601846D+00
                36            37            38            39            40 
      1   0.433745D+00 -0.325253D+00  0.735247D+00 -0.166104D+01  0.698419D+00
      2   0.427230D+00 -0.161460D+00  0.118593D+01  0.818723D+00  0.647958D+00
      3  -0.641657D+01  0.487930D+01 -0.146271D+02 -0.142973D+01  0.360427D+01
                41            42            43            44            45 
      1  -0.141858D-01 -0.242555D+01 -0.567030D+01  0.390391D+00 -0.665171D+00
      2  -0.151676D+01  0.408513D+01 -0.782966D+01  0.953950D+01  0.234961D+01
      3  -0.116624D+00  0.107405D+01  0.746845D+00  0.171793D+01 -0.471639D+01
                46            47            48            49            50 
      1   0.467349D+00 -0.315477D+00 -0.593698D+00 -0.183213D-01 -0.108363D+01
      2   0.453682D-02 -0.815944D-01  0.595508D+01 -0.284000D+01 -0.118159D+00
      3  -0.407672D+01 -0.602871D+01 -0.420956D-01  0.115423D+02 -0.376739D+01
                51            52            53            54            55 
      1   0.132732D+01 -0.200320D+01  0.115287D+02  0.152945D+01 -0.519630D+00
      2   0.106284D+01  0.823823D+01  0.270915D+01  0.105750D+01  0.564811D+01
      3   0.200162D-01  0.147663D+01  0.159363D+00 -0.169465D+01 -0.421024D+01
                56            57            58            59            60 
      1  -0.423262D+00  0.204539D+00  0.133248D+01  0.178093D+01 -0.274548D+01
      2   0.125945D+01 -0.284169D+01 -0.401566D+00 -0.513953D+01  0.229867D+01
      3   0.507417D+00 -0.886436D+00  0.111607D+02  0.126305D+02  0.606691D+01
                61            62            63            64            65 
      1   0.167730D+01  0.221205D+01 -0.141085D+01 -0.844339D-01  0.293448D+01
      2  -0.157890D+02  0.474061D+00  0.288164D+01 -0.250176D+01 -0.186185D+01
      3   0.415133D+00  0.618539D+01 -0.459061D+01  0.568867D+01 -0.956480D+01
                66            67            68            69            70 
      1   0.129919D+01 -0.462178D+00  0.796553D+01 -0.206022D+01 -0.618751D+00
      2   0.184561D+02  0.721576D+00  0.247291D+01 -0.146538D-01  0.754039D+01
      3   0.334387D+01 -0.171560D+01 -0.160536D+02 -0.353128D+01  0.149916D+01
                71            72            73            74            75 
      1   0.494428D+01 -0.300807D+01  0.279904D+01 -0.241432D+01  0.463074D+00
      2   0.832747D+00 -0.123451D+02 -0.114853D+02 -0.456130D+01  0.130567D+02
      3  -0.464668D+01 -0.477197D+00  0.554959D+01 -0.688186D+01  0.118795D+01
                76            77            78            79            80 
      1  -0.112448D+00 -0.662285D+01 -0.789548D+01 -0.103802D+01 -0.324949D+01
      2  -0.323069D+01  0.102494D+02 -0.579696D+01  0.831122D+01 -0.425789D+01
      3  -0.973503D+00 -0.118694D+02 -0.101564D+02 -0.630633D+00 -0.995476D+01
                81            82            83            84            85 
      1   0.417411D+01 -0.880016D-01 -0.161575D+01 -0.134755D+01 -0.762285D+00
      2   0.355927D+01  0.477452D+01  0.163041D+00 -0.830368D+01 -0.136417D+01
      3   0.588102D+01 -0.577597D+00  0.981085D+00 -0.579076D+00  0.141984D+01
                86            87            88            89            90 
      1  -0.171050D+00  0.882930D-01 -0.796570D+00  0.258251D+01  0.236713D+01
      2   0.171528D+01  0.986250D+00 -0.757150D+01 -0.149894D+01  0.217751D+02
      3   0.679249D+00 -0.129313D+01 -0.342652D+00 -0.165242D+01  0.297188D+01
                91            92            93            94            95 
      1  -0.149903D+00 -0.693384D-01 -0.690723D+00 -0.229771D+00  0.895573D-01
      2   0.322822D+00  0.164374D+00  0.197017D+01 -0.216441D-01  0.250572D+01
      3  -0.377389D+01 -0.242896D+01 -0.185430D+00  0.238885D+01 -0.133408D+02
                96            97            98            99           100 
      1  -0.330181D+01 -0.546463D+00  0.854654D+00 -0.858861D+00 -0.129938D+01
      2   0.303403D+01  0.303810D+00  0.170417D+01  0.153645D+01 -0.421812D+01
      3  -0.283312D+01  0.447180D+00 -0.278002D+01 -0.116645D+01 -0.289080D+01
               101           102           103           104           105 
      1   0.220865D+01 -0.350269D-01  0.101536D+01 -0.287583D+01  0.105539D+01
      2   0.307068D+01 -0.573288D+01  0.313087D+01 -0.607599D+01  0.738529D+01
      3   0.232743D+01 -0.210560D+01  0.298514D+01 -0.435712D+01  0.539056D+01
               106           107           108           109           110 
      1  -0.185166D+00  0.437310D+01 -0.160255D+01 -0.157071D+01 -0.231774D+01
      2  -0.523150D+01  0.597008D+01 -0.132117D+02  0.100432D+02  0.153060D+01
      3  -0.132163D+01  0.470723D+01 -0.566758D+01 -0.932710D+00 -0.611372D+01
               111           112           113           114           115 
      1  -0.690807D+00 -0.168914D+01 -0.871757D-01 -0.318796D+00 -0.480188D-01
      2   0.540563D+01  0.184273D+01 -0.296975D-02  0.174786D+01  0.650114D+00
      3   0.101480D+00 -0.236650D+01 -0.698206D+00  0.128344D+01  0.169160D+00
               116           117           118           119           120 
      1   0.799133D+00 -0.537838D+00  0.147258D+01  0.888902D+00 -0.328377D+00
      2   0.630727D+00  0.114465D+01 -0.991755D+00 -0.911232D+00 -0.136751D+01
      3   0.114175D+01 -0.621110D+00  0.264533D+01  0.108910D+01  0.927246D-01
               121           122           123           124           125 
      1   0.172333D+00  0.101056D+02  0.859498D+00 -0.333737D+00  0.389617D+01
      2  -0.142971D+01 -0.580447D+01 -0.535274D+01 -0.168902D+01 -0.234881D+01
      3   0.209920D+01  0.157725D+02  0.566073D+01 -0.508150D+00  0.398250D+01
               126           127           128           129           130 
      1   0.157974D+01  0.162298D+00 -0.551051D+00  0.232641D+01  0.956572D-02
      2  -0.379569D+01  0.118783D+01 -0.245270D+00  0.912582D+00 -0.603169D+00
      3   0.283024D+01 -0.995813D+01  0.401965D+01  0.119520D+00  0.746281D+01
               131           132           133           134           135 
      1   0.107888D+00 -0.309271D+01 -0.155406D+00  0.194027D+01 -0.231030D-01
      2   0.587291D+00 -0.137756D+01 -0.177128D+01  0.158014D+00 -0.265989D+00
      3  -0.554701D+01 -0.653248D+00 -0.374821D+00 -0.627089D+00  0.445061D-01
               136           137           138           139           140 
      1  -0.717281D-01  0.765680D-01 -0.160086D+01 -0.792223D-01  0.300042D+00
      2   0.584950D-01  0.232396D+00  0.147245D+01  0.218381D+00  0.146809D+01
      3  -0.710683D+00 -0.246515D+01 -0.180322D+00 -0.133405D+01 -0.137907D+02
               141           142           143           144           145 
      1  -0.443792D+01  0.706601D+00  0.179168D+01 -0.388783D+00 -0.311600D-01
      2   0.298197D+01 -0.596398D+00 -0.373021D+00  0.355607D+00  0.471212D+00
      3  -0.140806D+01 -0.141746D+00 -0.184832D+01 -0.260399D+00 -0.882339D+00
               146           147           148           149           150 
      1   0.181072D+00 -0.689573D+00  0.167279D-01  0.404409D-01 -0.405975D+00
      2  -0.334288D-01  0.620968D+01  0.805764D+00  0.192549D+00  0.880230D+00
      3  -0.531787D+01  0.475490D-01 -0.406223D+01 -0.176773D+01 -0.241851D+00
               151           152           153           154           155 
      1   0.510552D+00  0.442790D+00 -0.468705D-02  0.521853D-01 -0.279858D+00
      2  -0.290487D+01 -0.279371D+00  0.167989D+00 -0.124283D+00  0.889139D-01
      3  -0.707779D+00 -0.345295D+00  0.113428D+00  0.148456D+01 -0.463379D+01
               156           157           158           159           160 
      1   0.228631D+01  0.142872D+00  0.130058D+00 -0.327159D+01 -0.831078D+00
      2   0.295815D+01  0.523172D+00 -0.843395D+00 -0.337308D+01 -0.868388D+00
      3  -0.145210D+00 -0.347021D+01  0.110587D+02  0.793784D+00 -0.547032D+00
               161           162           163           164           165 
      1   0.144926D+01 -0.115343D+00  0.120754D+00  0.980030D-01 -0.147458D+01
      2   0.680214D+00 -0.196588D+00 -0.811843D+00 -0.625791D+00  0.209321D+00
      3   0.108339D+01 -0.149105D+00  0.594411D+01  0.382980D+01  0.551211D+00
               166           167           168           169           170 
      1  -0.301043D-01  0.398096D+00 -0.420247D+01  0.628842D+00  0.198844D+01
      2  -0.709647D+00 -0.125416D+01  0.388608D+00 -0.148700D+01 -0.130348D+00
      3   0.708448D+01  0.886545D+01  0.127305D+01  0.120535D+01  0.123963D+01
               171           172           173           174           175 
      1  -0.351940D+00  0.297585D+00  0.103801D+01  0.706501D-01  0.115976D+01
      2   0.749233D-01  0.251713D+00  0.147155D+00 -0.988285D-01  0.429513D+00
      3  -0.200012D+00  0.121216D+01 -0.173727D+01 -0.352280D+00  0.708092D+00
               176           177           178           179           180 
      1  -0.955883D+01 -0.249763D+01  0.417796D+00 -0.946425D+00 -0.159225D+01
      2  -0.779113D+00 -0.355485D+01 -0.436972D+00 -0.158138D+01 -0.652542D+00
      3   0.192198D+02 -0.163551D+00  0.542256D+00  0.339125D+01  0.188677D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.352746D+01  0.238278D+02  0.252563D+01 -0.287943D+02  0.574077D+01
      2  -0.427824D+00 -0.163235D+02 -0.387887D+00  0.267961D+02 -0.977105D+01
      3   0.395529D+01 -0.750422D+01 -0.213774D+01  0.199821D+01  0.403028D+01
      4   0.136141D+02  0.271560D+01  0.616826D+00 -0.499201D+00  0.100729D+02
      5   0.453429D+00  0.603205D+00  0.472966D+01 -0.335338D+01  0.433262D+01
      6  -0.174902D+00 -0.135752D+01 -0.539312D+01  0.371039D+01 -0.352986D+01
                 6             7             8             9            10 
      1   0.211542D+00 -0.387962D+01  0.201313D+01  0.216998D+01  0.143958D+02
      2  -0.467515D+00  0.519604D+01 -0.406452D+01 -0.804775D+01 -0.943615D+01
      3   0.255973D+00 -0.131642D+01  0.205139D+01  0.587777D+01 -0.495961D+01
      4   0.436262D+01 -0.168415D+01  0.473892D+01 -0.170790D+02 -0.460784D+01
      5  -0.987423D+01  0.200046D+02 -0.170086D+02 -0.438548D+01 -0.471068D+00
      6   0.325241D+01 -0.869337D+01  0.122743D+02 -0.490012D+00 -0.186493D+00
                11            12            13            14            15 
      1  -0.105597D+02 -0.395036D+00 -0.873646D+00  0.966051D+01  0.268810D+01
      2   0.857701D+01  0.121813D+00 -0.934426D+01 -0.156334D+02 -0.418284D+01
      3   0.198274D+01  0.273222D+00  0.102179D+02  0.597289D+01  0.149474D+01
      4  -0.170132D+02 -0.161364D+01  0.984325D+01 -0.144724D+02 -0.956911D+00
      5  -0.150654D+01 -0.296663D+01  0.430641D+00 -0.123631D+01 -0.595600D+00
      6  -0.159544D+00  0.330616D+01 -0.293107D+01 -0.580694D+01  0.531136D+01
                16            17            18            19            20 
      1   0.577845D+00  0.223530D+01 -0.161135D+02 -0.179699D+02 -0.445176D+01
      2  -0.267123D+01 -0.629827D+01  0.374463D+01  0.315687D+01  0.319468D+01
      3   0.209339D+01  0.406297D+01  0.123688D+02  0.148131D+02  0.125707D+01
      4  -0.768969D+00 -0.137409D+01 -0.643996D+01 -0.295062D+01  0.208138D+01
      5   0.539595D+01 -0.507241D+01 -0.184903D+01 -0.144727D+01 -0.843143D+00
      6   0.219260D+01  0.170243D+02  0.280965D+01 -0.230028D+01  0.329704D+00
                21            22            23            24            25 
      1  -0.888540D+00  0.236279D+01 -0.123446D+02 -0.519929D+00 -0.219526D+01
      2  -0.440348D+00 -0.578439D+01  0.188089D+02  0.340268D+01 -0.666580D+00
      3   0.132889D+01  0.342160D+01 -0.646427D+01 -0.288275D+01  0.286184D+01
      4  -0.554453D+00 -0.137210D+02 -0.115323D+01  0.127727D+00 -0.256703D+01
      5   0.280343D+01 -0.308183D+01 -0.894812D-01 -0.139673D+01  0.574126D+01
      6   0.178108D+01 -0.229191D+01  0.317639D+01 -0.272406D+01  0.258693D+01
                26            27            28            29            30 
      1  -0.153855D+01 -0.657370D+01 -0.348656D+01  0.166879D+02  0.157712D+01
      2   0.285909D+01 -0.586200D+01  0.278075D+01 -0.126510D+02  0.630638D+00
      3  -0.132055D+01  0.124357D+02  0.705811D+00 -0.403692D+01 -0.220776D+01
      4   0.977846D+00  0.133865D+00  0.132692D+02 -0.116627D+02 -0.571523D+00
      5   0.106988D+00 -0.210062D+01 -0.916770D+00 -0.863157D+00 -0.255233D+01
      6   0.341576D+01 -0.135040D+01  0.129851D+01 -0.909415D+00 -0.514742D+01
                31            32            33            34            35 
      1  -0.615746D+01  0.514587D+01  0.203832D+01 -0.207380D+01  0.282680D+01
      2   0.168646D+02 -0.885159D+01 -0.146298D+01  0.496268D+01 -0.408445D+01
      3  -0.107071D+02  0.370572D+01 -0.575333D+00 -0.288888D+01  0.125766D+01
      4   0.589513D+01  0.147334D+02  0.175363D+01  0.169281D+01  0.708765D+00
      5   0.457038D+00  0.187868D+01 -0.824868D+00  0.109265D+01  0.950514D+00
      6   0.494350D+01 -0.291103D+01  0.420171D+01 -0.683249D+01  0.122158D+02
                36            37            38            39            40 
      1  -0.152208D+02  0.114797D+02 -0.216138D+02 -0.171478D+01  0.206789D+02
      2   0.297198D+01 -0.126556D+02  0.147223D+02  0.224956D+00 -0.179369D+02
      3   0.122488D+02  0.117595D+01  0.689149D+01  0.148982D+01 -0.274202D+01
      4   0.273255D+01 -0.173779D+02 -0.504218D+01 -0.172589D+01  0.114779D+02
      5  -0.693107D+00 -0.828829D+00 -0.142241D+01  0.237875D+00 -0.437149D+00
      6  -0.350804D+00 -0.281304D+01 -0.555231D-01  0.370762D+01 -0.239146D+01
                41            42            43            44            45 
      1   0.124749D+02  0.221389D+01  0.230494D+01  0.588103D+00 -0.564000D+01
      2  -0.176849D+02 -0.349059D+01 -0.421464D+01 -0.533772D+01 -0.226607D+01
      3   0.520993D+01  0.127669D+01  0.190970D+01  0.474962D+01  0.790607D+01
      4  -0.459672D+01 -0.328891D+01 -0.184376D+01 -0.550216D+01  0.155898D+02
      5  -0.314165D+01  0.861250D+01  0.123274D+02  0.159176D+02  0.511528D+01
      6  -0.584238D+01  0.532355D+01  0.740465D+01  0.161748D+02  0.221901D+01
                46            47            48            49            50 
      1  -0.104004D+02 -0.396155D+01 -0.216148D+01  0.109018D+02 -0.237083D+02
      2   0.835629D+01  0.297494D+01  0.110348D+01 -0.103135D+02  0.206864D+02
      3   0.204415D+01  0.986613D+00  0.105801D+01 -0.588248D+00  0.302189D+01
      4  -0.136853D+01  0.212094D+02  0.770470D+00 -0.202682D+02 -0.210072D+01
      5  -0.275859D+01  0.504798D+00  0.135446D+02 -0.572106D+01 -0.142334D+01
      6   0.994839D+00  0.182741D+00  0.169791D+01 -0.178441D+01  0.241767D+01
                51            52            53            54            55 
      1  -0.430126D+01 -0.169127D+01 -0.473602D+01  0.158026D+02  0.962794D+01
      2   0.468876D+01 -0.660134D+00  0.366015D+01 -0.182837D+02 -0.255403D+01
      3  -0.387498D+00  0.235140D+01  0.107587D+01  0.248104D+01 -0.707391D+01
      4  -0.159495D+01 -0.693287D+01 -0.853148D+00  0.444023D+01  0.505072D+01
      5   0.249393D+01  0.381936D+02  0.443130D+01  0.260607D+01  0.359431D+01
      6  -0.232080D+01  0.288798D+01  0.438344D+01 -0.194225D+01 -0.244005D+00
                56            57            58            59            60 
      1   0.337393D-01  0.628483D+00  0.122507D+02  0.751999D+01  0.392554D+01
      2  -0.546558D+00 -0.283898D+01 -0.131511D+02 -0.153662D+02 -0.690279D+01
      3   0.512819D+00  0.221049D+01  0.900485D+00  0.784625D+01  0.297725D+01
      4  -0.636463D+01  0.244026D+01 -0.589368D+01 -0.253502D+02 -0.976219D+01
      5   0.199999D+01 -0.159706D+02  0.859950D+01 -0.836845D+01  0.685496D+01
      6  -0.158071D+01  0.148376D+01 -0.328219D+01 -0.496451D+01 -0.303660D-01
                61            62            63            64            65 
      1  -0.188396D+01  0.239268D+01 -0.914409D+01  0.245045D+02  0.173363D+00
      2  -0.408083D+01 -0.304300D+01  0.114274D+02 -0.134445D+02 -0.135575D+01
      3   0.596480D+01  0.650319D+00 -0.228326D+01 -0.110600D+02  0.118238D+01
      4   0.619326D+01 -0.922322D+01  0.218199D+01 -0.698814D+01  0.118514D+02
      5  -0.355851D+02  0.134859D+01  0.714037D+01  0.106683D+02 -0.467163D+01
      6   0.142210D+00 -0.349669D+01  0.118816D+01 -0.389300D+01  0.490405D+01
                66            67            68            69            70 
      1  -0.672515D+01 -0.681021D+01  0.703365D+01 -0.184173D+01 -0.111412D+01
      2  -0.732265D+01  0.699322D+01 -0.112998D+02  0.408862D+00 -0.819739D+01
      3   0.140478D+02 -0.183008D+00  0.426614D+01  0.143287D+01  0.931151D+01
      4  -0.379078D+01  0.121515D+02  0.225090D+02  0.747688D+01 -0.430636D+01
      5   0.271730D+02 -0.589128D+01  0.888792D+01 -0.274039D+01  0.316360D+02
      6  -0.412279D+01  0.569510D+01  0.733561D+01  0.509200D+01 -0.348392D+01
                71            72            73            74            75 
      1   0.106011D+01  0.239655D+02 -0.494859D+02 -0.131578D+02  0.129679D+02
      2  -0.258821D+01 -0.817830D+01  0.231738D+02  0.452506D+01  0.268142D+00
      3   0.152810D+01 -0.157872D+02  0.263121D+02  0.863272D+01 -0.132360D+02
      4   0.766701D+01 -0.422038D+01 -0.166057D+02  0.538729D+01 -0.152377D+01
      5  -0.155122D+01  0.476649D+01  0.162087D+02  0.147754D+01  0.138341D+02
      6   0.603856D+01 -0.141339D+01  0.654502D+01 -0.516905D+01  0.317823D+01
                76            77            78            79            80 
      1  -0.145361D+02  0.122344D+02 -0.563856D+01  0.125148D+01 -0.783266D+01
      2   0.922847D+01 -0.208138D+01 -0.137412D+01  0.100172D+02  0.995728D-01
      3   0.530768D+01 -0.101530D+02  0.701268D+01 -0.112687D+02  0.773308D+01
      4   0.281737D+01  0.196074D+02  0.142054D+02 -0.332477D+01  0.131462D+02
      5   0.252264D+01  0.107997D+02 -0.515528D+01  0.256126D+02 -0.282122D+01
      6  -0.105112D+01 -0.939382D+01 -0.117956D+02  0.282824D+01 -0.918782D+01
                81            82            83            84            85 
      1   0.180420D+02  0.405443D+00 -0.960617D-01  0.120470D+02  0.256096D+01
      2  -0.139776D+02 -0.209147D+01  0.242762D+00  0.322831D+01 -0.136659D+01
      3  -0.406432D+01  0.168602D+01 -0.146700D+00 -0.152753D+02 -0.119437D+01
      4  -0.451838D+01  0.646846D+00 -0.164039D+01 -0.312676D+00  0.915050D+00
      5  -0.134216D+02  0.130446D+01  0.991799D+00 -0.598354D+01  0.956539D-01
      6   0.795242D+01  0.489512D+00 -0.181882D+01  0.146950D+01 -0.319809D+00
                86            87            88            89            90 
      1  -0.382274D+01 -0.598442D+00  0.917422D+01  0.183668D+01 -0.274036D+02
      2   0.819339D+00 -0.412125D+00 -0.130196D+01 -0.681293D+00 -0.106998D+02
      3   0.300340D+01  0.101057D+01 -0.787226D+01 -0.115539D+01  0.381034D+02
      4  -0.101644D+01  0.267413D+01 -0.197369D+01  0.304691D+01 -0.944926D-01
      5   0.189405D+01  0.895808D+00  0.180635D+01 -0.201026D+01  0.235241D+02
      6  -0.711437D+00  0.606387D+01  0.585428D+00  0.452670D+01 -0.477414D+01
                91            92            93            94            95 
      1   0.150965D+01  0.330189D+01  0.117190D+01  0.107380D+01 -0.131899D+02
      2   0.269136D+01 -0.104527D+00  0.345575D-01  0.335511D+01  0.258437D+02
      3  -0.420101D+01 -0.319737D+01 -0.120645D+01 -0.442891D+01 -0.126538D+02
      4   0.736081D+01  0.986659D+01  0.166564D+01  0.111123D+02  0.298847D+02
      5   0.184625D+01  0.166165D+01  0.494658D+01  0.141009D+01  0.473790D+01
      6   0.213019D+01  0.905056D+00  0.342819D+00  0.112677D+01  0.774831D+01
                96            97            98            99           100 
      1  -0.248847D+01  0.685016D+00 -0.265689D+01 -0.275183D+01 -0.234280D+01
      2   0.366538D+01  0.422463D+00  0.275100D+01  0.184374D+01 -0.332675D+00
      3  -0.117691D+01 -0.110748D+01 -0.941058D-01  0.908094D+00  0.267548D+01
      4   0.528431D+01  0.156267D+01  0.549144D+01  0.489119D+01  0.192170D+01
      5   0.674540D+01  0.585917D+01  0.451058D+01  0.316620D+01  0.397647D+00
      6   0.584270D+01  0.148746D+01  0.760186D+01  0.350990D+01 -0.354415D+01
               101           102           103           104           105 
      1   0.670570D+01 -0.104548D+02  0.680890D+01 -0.112741D+02  0.112587D+02
      2  -0.239900D+01 -0.489502D+00 -0.373765D+01  0.491027D+01  0.429305D+00
      3  -0.430669D+01  0.109443D+02 -0.307124D+01  0.636383D+01 -0.116880D+02
      4  -0.207464D+01  0.147674D+01  0.168054D+01  0.657429D+01 -0.869879D+01
      5  -0.305668D+00 -0.327061D+01 -0.407495D+01 -0.645210D+01  0.952033D+01
      6   0.483433D+01 -0.493006D+01  0.993779D+00 -0.103247D+02  0.127952D+02
               106           107           108           109           110 
      1  -0.607794D+01  0.967771D+01 -0.215746D+02  0.793934D+02  0.897641D+01
      2   0.105157D+01  0.486318D+00 -0.592140D+01 -0.421220D+02 -0.340900D+01
      3   0.502637D+01 -0.101640D+02  0.274960D+02 -0.372713D+02 -0.556741D+01
      4  -0.238635D+00 -0.804209D+01  0.802498D+01  0.156220D+02  0.121722D+02
      5   0.387439D+01  0.650403D+01 -0.154206D+02 -0.318628D+02 -0.382297D+01
      6  -0.146676D+01  0.112920D+02 -0.138269D+02 -0.494645D+01 -0.387141D+01
               111           112           113           114           115 
      1  -0.794748D+01  0.108060D+02  0.634752D+01 -0.412780D-01  0.306141D+01
      2   0.803377D+01 -0.444205D+01 -0.228647D+01  0.129369D+01  0.744509D+00
      3  -0.862862D-01 -0.636397D+01 -0.406105D+01 -0.125242D+01 -0.380592D+01
      4  -0.210228D+01  0.135897D+02  0.444426D+01 -0.304682D+01  0.391943D+00
      5   0.155625D+02 -0.561750D+01 -0.430053D+01  0.383731D+01  0.769660D+01
      6   0.158197D+01 -0.349048D+01 -0.867944D+00  0.298357D+01  0.859430D+00
               116           117           118           119           120 
      1   0.981593D+00  0.396100D+01  0.376093D+01 -0.277105D+01 -0.389794D+01
      2   0.507964D+00 -0.303260D+01 -0.117105D+01  0.189747D+01  0.277134D+00
      3  -0.148956D+01 -0.928393D+00 -0.258988D+01  0.873578D+00  0.362081D+01
      4  -0.747911D+00  0.225223D+01 -0.188302D+01  0.106965D+01  0.672653D+00
      5   0.178428D+01 -0.160763D+01 -0.218378D+01  0.179208D+01 -0.772567D+00
      6   0.188011D+01 -0.103825D+01  0.189514D+01  0.103763D+01  0.142820D+00
               121           122           123           124           125 
      1  -0.597422D+01 -0.904572D+01 -0.422903D+01 -0.153684D+01 -0.316368D+01
      2   0.384130D+01  0.816108D+01 -0.199299D+01  0.857006D+00 -0.827058D+00
      3   0.213292D+01  0.884634D+00  0.622202D+01  0.679836D+00  0.399073D+01
      4   0.624948D+01 -0.267058D+02 -0.105063D+02  0.149940D+01 -0.724250D+01
      5   0.769882D+01 -0.902068D+01 -0.117262D+02  0.183057D+01 -0.492524D+01
      6  -0.181009D+01  0.187161D+02  0.110363D+02 -0.114338D+01  0.939781D+01
               126           127           128           129           130 
      1  -0.687793D+01 -0.460416D+01  0.691099D+01  0.655826D+00  0.759342D+01
      2  -0.359591D+00  0.635450D+01 -0.101268D+02 -0.598410D+00 -0.108398D+02
      3   0.723753D+01 -0.175034D+01  0.321581D+01 -0.574158D-01  0.324640D+01
      4  -0.527424D+01 -0.856934D+01  0.853973D+01  0.545974D+00  0.855772D+01
      5  -0.575886D+01 -0.416407D+00  0.470325D+00  0.212722D+01  0.487605D+00
      6   0.542031D+01  0.397301D+00 -0.890323D+00 -0.218989D+01 -0.120181D+01
               131           132           133           134           135 
      1  -0.205084D+02 -0.189506D+01  0.769102D+00 -0.168094D+01 -0.251393D+00
      2   0.279660D+02  0.158424D+01 -0.106434D+01  0.224606D+01  0.939993D+00
      3  -0.745760D+01  0.310819D+00  0.295240D+00 -0.565122D+00 -0.688600D+00
      4  -0.882093D+01 -0.452211D+00  0.842963D+00 -0.500820D+00 -0.179117D+01
      5  -0.738146D+00 -0.149874D+01  0.730845D+00 -0.484633D+00 -0.607459D+00
      6   0.241941D+01  0.502238D+01 -0.695877D-01  0.150560D+01  0.658873D+00
               136           137           138           139           140 
      1   0.512342D+01  0.431569D+01  0.489455D+00 -0.104307D+01 -0.165288D+02
      2   0.367776D+01  0.577613D+01  0.215293D+00  0.120944D+02  0.398814D+02
      3  -0.880119D+01 -0.100918D+02 -0.704747D+00 -0.110513D+02 -0.233526D+02
      4   0.180837D+02  0.228613D+02  0.257041D+01  0.242502D+02  0.473415D+02
      5   0.228532D+01  0.253195D+01  0.380576D+01  0.276233D+01  0.499936D+01
      6   0.171084D+01  0.202876D+01  0.238350D+01  0.289303D+01  0.699243D+01
               141           142           143           144           145 
      1  -0.199092D+01 -0.103495D-01 -0.177102D+01 -0.167341D+01  0.968665D+02
      2   0.311619D+01  0.136251D+01  0.420309D+01  0.231931D+01 -0.543887D+02
      3  -0.112528D+01 -0.135216D+01 -0.243206D+01 -0.645899D+00 -0.424778D+02
      4   0.516539D+01  0.317090D+01  0.612801D+01  0.212160D+01  0.153852D+02
      5   0.512854D+01  0.986498D+00  0.151575D+01  0.100234D+01  0.480148D+01
      6   0.775220D+01  0.136102D+01  0.325207D+01  0.165636D+01 -0.959891D+00
               146           147           148           149           150 
      1   0.962154D+01  0.306863D+01  0.890483D+01  0.984472D+01  0.102041D+01
      2  -0.468636D+01 -0.210269D+01 -0.382895D+01 -0.448077D+01 -0.791450D+00
      3  -0.493518D+01 -0.965945D+00 -0.507588D+01 -0.536395D+01 -0.228958D+00
      4   0.100651D+02  0.332542D+00  0.162960D+02  0.511492D+01  0.772884D+00
      5   0.317460D+00  0.105343D+02  0.196715D+01  0.780306D+00  0.137345D+01
      6   0.124193D+00  0.903363D+00  0.418386D+00 -0.517708D-01  0.162094D+01
               151           152           153           154           155 
      1   0.393497D+01  0.108332D+01  0.269892D+01  0.219522D+02 -0.137122D+02
      2  -0.222207D+01 -0.580625D+00 -0.183201D+01 -0.386981D+01 -0.113048D+01
      3  -0.171290D+01 -0.502694D+00 -0.866915D+00 -0.180824D+02  0.148427D+02
      4   0.218840D+01  0.886148D+00  0.531180D+00 -0.330956D+02  0.300060D+02
      5   0.215217D+01  0.273107D+00  0.718325D+00 -0.338891D+01  0.236769D+01
      6   0.146535D+00  0.768745D+00  0.173819D+00  0.127558D+01 -0.111160D+01
               156           157           158           159           160 
      1  -0.138286D+01 -0.937310D+01  0.357440D+01  0.425949D+00 -0.404694D+00
      2   0.552037D+00 -0.655293D+01  0.168732D+02  0.410594D+00 -0.699724D+00
      3   0.830825D+00  0.159260D+02 -0.204476D+02 -0.836543D+00  0.110442D+01
      4   0.221596D+01  0.338353D+02 -0.440589D+02 -0.368483D+01  0.310767D+01
      5   0.587329D+01  0.344196D+01 -0.388741D+01 -0.544068D+01  0.166803D+01
      6  -0.317528D+01 -0.212764D+01  0.287098D+01  0.563655D+01 -0.137022D+01
               161           162           163           164           165 
      1   0.613247D-01 -0.192340D+00 -0.519388D+01 -0.904159D+01 -0.129443D+01
      2   0.141768D+01  0.934622D+00  0.675883D+01  0.113521D+02  0.961783D+00
      3  -0.147900D+01 -0.742282D+00 -0.156495D+01 -0.231050D+01  0.332651D+00
      4  -0.378033D+01 -0.204741D+01  0.347296D+01  0.716278D+01  0.718545D+00
      5  -0.179743D+01 -0.759553D+00  0.455233D+00  0.550627D+00  0.121136D+01
      6   0.222176D+01  0.925791D+00  0.124817D+01  0.193794D+01  0.201293D+01
               166           167           168           169           170 
      1  -0.696111D+01 -0.336926D+02 -0.410507D+01 -0.121969D+01 -0.447244D+01
      2   0.886147D+01  0.462129D+02  0.396937D+01  0.157496D+01  0.555727D+01
      3  -0.190036D+01 -0.125204D+02  0.135696D+00 -0.355271D+00 -0.108483D+01
      4   0.527205D+01 -0.115180D+01 -0.436662D+00  0.785059D+00 -0.115042D+00
      5   0.750709D+00 -0.606436D+00 -0.413148D-01  0.203548D+00  0.680280D+00
      6   0.139694D+01  0.700801D+01  0.718064D+01  0.435102D+00  0.264567D+01
               171           172           173           174           175 
      1  -0.165908D+01  0.495653D+01 -0.158168D+01  0.270003D+01 -0.322271D+01
      2   0.234363D+01 -0.293867D+01 -0.333300D+00 -0.195615D+01 -0.112853D+01
      3  -0.684556D+00 -0.201786D+01  0.191498D+01 -0.743885D+00  0.435124D+01
      4   0.131738D+01 -0.127459D+01  0.491054D+01  0.762295D+00  0.916218D+01
      5   0.233207D+00  0.298640D+01  0.759695D+00  0.105242D+01 -0.244699D+01
      6   0.154649D+01  0.107712D+01  0.639502D+00  0.966907D+00  0.223115D+01
               176           177           178           179           180 
      1  -0.619568D+01  0.213840D+01 -0.156155D+00  0.136659D+01 -0.217696D+01
      2   0.187606D+02  0.156603D+01 -0.894694D+00  0.198810D+01  0.132237D+01
      3  -0.125649D+02 -0.370443D+01  0.105085D+01 -0.335469D+01  0.854596D+00
      4  -0.311492D+02  0.133267D+01  0.220516D+01 -0.540994D+01 -0.275199D+01
      5   0.954000D+00 -0.616815D+01  0.149651D+01 -0.264611D+01 -0.941471D+00
      6  -0.116872D+02  0.367528D+01 -0.152007D+00  0.216632D+01 -0.281345D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 11:09:57 2021, MaxMem=  5368709120 cpu:           10034.2 elap:            1256.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.42937 -10.33156 -10.30659 -10.30459 -10.30394
 Alpha  occ. eigenvalues --  -10.30262 -10.30218 -10.30153 -10.28853  -0.98962
 Alpha  occ. eigenvalues --   -0.95059  -0.85841  -0.84251  -0.81397  -0.72214
 Alpha  occ. eigenvalues --   -0.69922  -0.66632  -0.61291  -0.58430  -0.55469
 Alpha  occ. eigenvalues --   -0.54664  -0.52813  -0.51370  -0.50702  -0.48062
 Alpha  occ. eigenvalues --   -0.46182  -0.45002  -0.44081  -0.42863  -0.41927
 Alpha  occ. eigenvalues --   -0.34311  -0.33555  -0.31612
 Alpha virt. eigenvalues --    0.05191   0.05583   0.08548   0.10603   0.10874
 Alpha virt. eigenvalues --    0.12345   0.13418   0.13691   0.14141   0.17125
 Alpha virt. eigenvalues --    0.17558   0.19120   0.19753   0.20029   0.21370
 Alpha virt. eigenvalues --    0.21985   0.22454   0.22856   0.23035   0.23354
 Alpha virt. eigenvalues --    0.25060   0.26060   0.26307   0.26747   0.28323
 Alpha virt. eigenvalues --    0.29300   0.30209   0.30439   0.31338   0.31783
 Alpha virt. eigenvalues --    0.32517   0.32918   0.34111   0.34492   0.35413
 Alpha virt. eigenvalues --    0.35879   0.36033   0.37153   0.37895   0.38562
 Alpha virt. eigenvalues --    0.38934   0.39359   0.40206   0.41007   0.41590
 Alpha virt. eigenvalues --    0.41883   0.42478   0.42880   0.44328   0.44592
 Alpha virt. eigenvalues --    0.44785   0.45627   0.46547   0.46720   0.46930
 Alpha virt. eigenvalues --    0.47614   0.47778   0.48182   0.49092   0.49506
 Alpha virt. eigenvalues --    0.49616   0.49977   0.50452   0.51229   0.51502
 Alpha virt. eigenvalues --    0.52003   0.53130   0.53414   0.54705   0.55160
 Alpha virt. eigenvalues --    0.56060   0.56229   0.57141   0.57756   0.58463
 Alpha virt. eigenvalues --    0.59633   0.60406   0.60993   0.61370   0.62003
 Alpha virt. eigenvalues --    0.63131   0.64809   0.65470   0.66416   0.67303
 Alpha virt. eigenvalues --    0.67644   0.68646   0.69446   0.70027   0.70709
 Alpha virt. eigenvalues --    0.72401   0.72804   0.73225   0.75444   0.75740
 Alpha virt. eigenvalues --    0.76062   0.77320   0.77611   0.79249   0.81418
 Alpha virt. eigenvalues --    0.82249   0.83433   0.83943   0.85302   0.86863
 Alpha virt. eigenvalues --    0.88486   0.89775   0.90359   0.91242   0.92617
 Alpha virt. eigenvalues --    0.97112   0.98037   0.99856   1.02475   1.03878
 Alpha virt. eigenvalues --    1.04764   1.05947   1.06186   1.07305   1.08006
 Alpha virt. eigenvalues --    1.08570   1.10115   1.12002   1.12608   1.14167
 Alpha virt. eigenvalues --    1.15037   1.17846   1.19427   1.20402   1.21263
 Alpha virt. eigenvalues --    1.22766   1.24123   1.25374   1.26157   1.26837
 Alpha virt. eigenvalues --    1.28089   1.29450   1.31648   1.32717   1.34211
 Alpha virt. eigenvalues --    1.36137   1.37113   1.37573   1.39889   1.42728
 Alpha virt. eigenvalues --    1.43827   1.45931   1.47901   1.50109   1.52604
 Alpha virt. eigenvalues --    1.54942   1.56835   1.58112   1.62693   1.65375
 Alpha virt. eigenvalues --    1.66903   1.68054   1.68674   1.70336   1.71920
 Alpha virt. eigenvalues --    1.74200   1.77865   1.81210   1.81789   1.82222
 Alpha virt. eigenvalues --    1.83863   1.86769   1.89150   1.90684   1.92954
 Alpha virt. eigenvalues --    1.95053   1.97479   1.98081   1.98536   2.01033
 Alpha virt. eigenvalues --    2.01868   2.04784   2.06305   2.07831   2.09412
 Alpha virt. eigenvalues --    2.09748   2.12847   2.13392   2.14466   2.16804
 Alpha virt. eigenvalues --    2.17200   2.18951   2.21581   2.22985   2.25301
 Alpha virt. eigenvalues --    2.26874   2.30115   2.30938   2.32435   2.35899
 Alpha virt. eigenvalues --    2.37780   2.39176   2.39541   2.42209   2.44593
 Alpha virt. eigenvalues --    2.47364   2.49381   2.50714   2.54023   2.55489
 Alpha virt. eigenvalues --    2.56578   2.59696   2.61822   2.63852   2.66754
 Alpha virt. eigenvalues --    2.69760   2.74747   2.76427   2.79684   2.85732
 Alpha virt. eigenvalues --    2.92062   2.92893   2.94658   2.95528   2.97425
 Alpha virt. eigenvalues --    2.99021   3.04385   3.10590   3.11817   3.13311
 Alpha virt. eigenvalues --    3.16405   3.19966   3.23302   3.27856   3.30927
 Alpha virt. eigenvalues --    3.31869   3.42856   3.50506   3.73408   3.79913
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.325612  -0.343967   0.376416  -0.068646   0.547615   0.064479
     2  C   -0.343967   7.437426  -0.299804  -0.052047  -0.230580   0.474604
     3  C    0.376416  -0.299804   9.322276  -0.844358   0.323725  -0.203493
     4  C   -0.068646  -0.052047  -0.844358   7.376891  -0.490517   0.468704
     5  C    0.547615  -0.230580   0.323725  -0.490517   6.782499  -0.034074
     6  C    0.064479   0.474604  -0.203493   0.468704  -0.034074   6.204962
     7  C    0.040164  -0.454102  -0.025350  -0.358340   0.063805   0.042019
     8  N   -0.004795   0.047840   0.235887  -0.041607  -0.010775  -0.002568
     9  C    0.000408  -0.005670   0.049687  -0.059418  -0.007707   0.003380
    10  H   -0.000601  -0.038760  -0.043245  -0.045236   0.001100   0.001439
    11  H    0.013575  -0.085608  -0.362509   0.098693   0.009773   0.000877
    12  H   -0.004404   0.043723  -0.041041   0.020169  -0.002104  -0.001207
    13  H   -0.000102  -0.005361  -0.008232  -0.003729  -0.000112  -0.000050
    14  H    0.000290  -0.004890  -0.073709   0.009874   0.001096   0.000392
    15  H    0.155452   0.019482  -0.866883   0.452033  -0.388217  -0.035286
    16  H   -0.078126   0.149545   0.091750  -0.309939  -0.022060  -0.435080
    17  H   -0.312619  -0.029174   0.118946  -0.034943  -0.295058   0.107450
    18  H    0.124009  -0.349884  -0.000715   0.124222  -0.058323  -0.392522
    19  H   -0.429125   0.168725  -0.908091   0.078028   0.169476  -0.071679
    20  H    0.001550   0.002299  -0.160438   0.026213   0.008272   0.000607
               7          8          9         10         11         12
     1  C    0.040164  -0.004795   0.000408  -0.000601   0.013575  -0.004404
     2  C   -0.454102   0.047840  -0.005670  -0.038760  -0.085608   0.043723
     3  C   -0.025350   0.235887   0.049687  -0.043245  -0.362509  -0.041041
     4  C   -0.358340  -0.041607  -0.059418  -0.045236   0.098693   0.020169
     5  C    0.063805  -0.010775  -0.007707   0.001100   0.009773  -0.002104
     6  C    0.042019  -0.002568   0.003380   0.001439   0.000877  -0.001207
     7  C    6.171073  -0.610524   0.425544   0.267880   0.280484   0.001206
     8  N   -0.610524   8.702790   0.017854  -0.371524  -0.251723   0.056833
     9  C    0.425544   0.017854   4.234233   0.003359  -0.078013   0.259452
    10  H    0.267880  -0.371524   0.003359   1.082480   0.081024  -0.007980
    11  H    0.280484  -0.251723  -0.078013   0.081024   1.282418  -0.018089
    12  H    0.001206   0.056833   0.259452  -0.007980  -0.018089   0.784135
    13  H    0.156864  -0.076917   0.254761   0.007199   0.014620  -0.057102
    14  H    0.132250  -0.052683   0.275148   0.003902   0.022182  -0.030806
    15  H   -0.228163   0.021703   0.001209  -0.031688   0.009175   0.006245
    16  H    0.004363  -0.002326   0.000193   0.001133  -0.000108  -0.000178
    17  H   -0.004491   0.000281  -0.000209  -0.000095  -0.000039   0.000127
    18  H    0.012528  -0.000611   0.001021   0.000355  -0.002639  -0.000973
    19  H   -0.249107   0.013860  -0.024943  -0.014363   0.032344   0.021979
    20  H    0.286689  -0.524377   0.002809   0.064144   0.041745  -0.009060
              13         14         15         16         17         18
     1  C   -0.000102   0.000290   0.155452  -0.078126  -0.312619   0.124009
     2  C   -0.005361  -0.004890   0.019482   0.149545  -0.029174  -0.349884
     3  C   -0.008232  -0.073709  -0.866883   0.091750   0.118946  -0.000715
     4  C   -0.003729   0.009874   0.452033  -0.309939  -0.034943   0.124222
     5  C   -0.000112   0.001096  -0.388217  -0.022060  -0.295058  -0.058323
     6  C   -0.000050   0.000392  -0.035286  -0.435080   0.107450  -0.392522
     7  C    0.156864   0.132250  -0.228163   0.004363  -0.004491   0.012528
     8  N   -0.076917  -0.052683   0.021703  -0.002326   0.000281  -0.000611
     9  C    0.254761   0.275148   0.001209   0.000193  -0.000209   0.001021
    10  H    0.007199   0.003902  -0.031688   0.001133  -0.000095   0.000355
    11  H    0.014620   0.022182   0.009175  -0.000108  -0.000039  -0.002639
    12  H   -0.057102  -0.030806   0.006245  -0.000178   0.000127  -0.000973
    13  H    0.605534   0.012856  -0.000224  -0.000005   0.000000   0.000017
    14  H    0.012856   0.702376   0.004084  -0.000553  -0.000022   0.000088
    15  H   -0.000224   0.004084   2.036046  -0.446203   0.050488  -0.016947
    16  H   -0.000005  -0.000553  -0.446203   2.189681  -0.496025   0.059747
    17  H    0.000000  -0.000022   0.050488  -0.496025   1.979827  -0.495243
    18  H    0.000017   0.000088  -0.016947   0.059747  -0.495243   2.239921
    19  H   -0.001947  -0.000881   0.044002  -0.019196   0.057860  -0.558030
    20  H    0.003876   0.032549  -0.001251   0.000121  -0.000018  -0.000025
              19         20
     1  C   -0.429125   0.001550
     2  C    0.168725   0.002299
     3  C   -0.908091  -0.160438
     4  C    0.078028   0.026213
     5  C    0.169476   0.008272
     6  C   -0.071679   0.000607
     7  C   -0.249107   0.286689
     8  N    0.013860  -0.524377
     9  C   -0.024943   0.002809
    10  H   -0.014363   0.064144
    11  H    0.032344   0.041745
    12  H    0.021979  -0.009060
    13  H   -0.001947   0.003876
    14  H   -0.000881   0.032549
    15  H    0.044002  -0.001251
    16  H   -0.019196   0.000121
    17  H    0.057860  -0.000018
    18  H   -0.558030  -0.000025
    19  H    2.046059   0.001527
    20  H    0.001527   1.163169
 Mulliken charges:
               1
     1  C   -0.407185
     2  C   -0.443798
     3  C   -0.680820
     4  C   -0.346049
     5  C   -0.367833
     6  C   -0.192953
     7  C    0.045206
     8  N   -0.146619
     9  C    0.646900
    10  H    0.039477
    11  H   -0.088184
    12  H   -0.020926
    13  H    0.098056
    14  H   -0.033542
    15  H    0.214942
    16  H    0.313264
    17  H    0.352956
    18  H    0.314005
    19  H    0.643502
    20  H    0.059599
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.093180
     2  C    0.199704
     3  C   -0.680820
     4  C   -0.131107
     5  C   -0.054568
     6  C    0.160003
     7  C   -0.042977
     8  N   -0.047543
     9  C    0.690487
 Electronic spatial extent (au):  <R**2>=           1292.2979
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.9934    Y=              0.3557    Z=              0.1397  Tot=              1.0644
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -57.8674   YY=            -49.6436   ZZ=            -57.2033
   XY=             -0.9330   XZ=             -1.9009   YZ=              0.2217
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -2.9626   YY=              5.2611   ZZ=             -2.2985
   XY=             -0.9330   XZ=             -1.9009   YZ=              0.2217
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             33.6041  YYY=              3.1942  ZZZ=             -7.2123  XYY=             -1.8990
  XXY=              1.6948  XXZ=             10.3516  XZZ=             -6.8205  YZZ=              0.6435
  YYZ=             -1.7325  XYZ=              2.3999
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1251.9729 YYYY=           -317.5406 ZZZZ=           -202.6528 XXXY=             -1.9270
 XXXZ=            -34.8216 YYYX=             -7.8944 YYYZ=              3.2078 ZZZX=             10.5735
 ZZZY=             -5.6019 XXYY=           -237.3513 XXZZ=           -262.5640 YYZZ=            -96.8493
 XXYZ=              0.6080 YYXZ=              5.0296 ZZXY=             -2.0187
 N-N= 4.251216061477D+02 E-N=-1.696515448216D+03  KE= 3.615734361173D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 11:09:57 2021, MaxMem=  5368709120 cpu:               2.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.60881632D-01 1.47142918D-01 2.89654388D-02
 Polarizability= 1.25905636D+02-5.33705862D-01 1.01147794D+02
                 4.22351598D-01 2.65996868D+00 7.09134516D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.3616   -0.3635       -0.1451   -0.1471
 2      0.3616    0.3635       -1.2968   -1.2966      -13.3081  -13.3112
 3      0.1451    0.1471       28.4025   28.4019        1.2958    1.2966
 4      1.2968    1.2966       -0.0000    0.0000        0.1443    0.1471
 5    -15.0944  -15.0907       -0.1443   -0.1471       -0.3584   -0.3635
 6     -1.2958   -1.2966        0.3584    0.3635       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.0906    1.0906       -0.4412   -0.4412
 2      3.8899    3.8899       -0.0000    0.0000       -0.4412   -0.4412
 3      3.8899    3.8899        1.0906    1.0906       -0.0000    0.0000
 4      1.0906    1.0906       -3.8899   -3.8899      -39.9336  -39.9336
 5      0.4412    0.4412       85.2057   85.2057        3.8899    3.8899
 6    -45.2721  -45.2721       -0.4412   -0.4412       -1.0906   -1.0906
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0615    0.0000        1.6578    1.4541        0.2530    0.5883
 2     -1.2890   -1.4541        5.1611    5.1866       53.5574   53.2449
 3     -0.4709   -0.5883     -113.8745 -113.6076       -5.1804   -5.1866
 4     -5.2246   -5.1866       -0.0330    0.0000       -0.7243   -0.5883
 5     60.2524   60.3627        0.5021    0.5883        1.4948    1.4541
 6      4.9538    5.1866       -1.3698   -1.4541       -0.0189    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0480    0.0000       -3.6917   -3.6937       -3.3906   -3.0562
 2      3.4493    3.6937      -53.0729  -53.2383      -16.6596  -16.4431
 3      2.6672    3.0562      -15.4380  -15.1733       53.6691   53.2383
 4     53.2268   53.2383       -0.0732    0.0000        3.2234    3.0562
 5     31.2627   31.6165       -3.1124   -3.0562       -3.3856   -3.6937
 6    -53.3396  -53.2383        3.8268    3.6937        0.0747    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     42.2290   42.2139       -2.7908   -2.7740        5.6911    5.9171
 2    118.0550  117.9457       -2.1572   -1.7632        5.9778    5.9171
 3    117.9976  117.9457       -3.1087   -2.7740        7.0045    6.8829
 4     -1.0920   -1.0108      -75.6391  -75.7318      -20.7224  -20.5503
 5      0.7393    0.9658      -21.7584  -21.9704       75.6102   75.7318
 6     41.9441   42.5207       -0.6145   -0.9658        1.3894    1.0108
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.4011   -3.6436   -0.0004    0.0004    0.0006    4.6940
 Low frequencies ---   24.7633  128.1845  212.2268
 Diagonal vibrational polarizability:
       15.5144911       8.8457676      21.4622711
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.7532               128.1837               212.2268
 Red. masses --      3.0053                 3.3459                 2.2565
 Frc consts  --      0.0011                 0.0324                 0.0599
 IR Inten    --      0.2393                 0.0500                 0.6238
 RamAct Fr= 1--      3.8161                 4.2398                 0.4420
  Dep-P Fr= 1--      0.7476                 0.7475                 0.2550
  Dep-U Fr= 1--      0.8556                 0.8555                 0.4064
 Alpha2 Fr= 1--      0.0002                 0.0002                 0.0052
 Beta2  Fr= 1--      0.5442                 0.6045                 0.0299
 AlphaG Fr= 1--      0.0006                 0.0005                -0.0012
 Gamma2 Fr= 1--     -0.4259                 0.0136                -0.0676
 Delta2 Fr= 1--     -0.4353                -0.1128                -0.0366
 Raman1 Fr= 1--      15.264                 16.959                  1.768
 ROA1   Fr= 1--     -54.812                 -2.306                 -7.657
 CID1   Fr= 1--      -3.591                 -0.136                 -4.331
 Raman2 Fr= 1--       6.530                  7.254                  0.359
 ROA2   Fr= 1--      -6.739                  1.228                 -1.329
 CID2   Fr= 1--      -1.032                  0.169                 -3.700
 Raman3 Fr= 1--      13.060                 14.509                  0.719
 ROA3   Fr= 1--     -54.812                 -2.306                 -7.657
 CID3   Fr= 1--      -4.197                 -0.159                -10.657
 RC180  Fr= 1--       0.711                  0.711                 -0.187
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.16    -0.01  -0.01   0.04     0.04   0.03   0.00
     2   6     0.01   0.01  -0.10    -0.00   0.02  -0.15     0.05  -0.09  -0.01
     3   6    -0.00  -0.02   0.06    -0.00   0.02  -0.17    -0.01  -0.13  -0.02
     4   6    -0.01  -0.03   0.17    -0.00   0.01  -0.10    -0.10  -0.10  -0.02
     5   6    -0.01  -0.01   0.12    -0.01  -0.01   0.10    -0.13   0.01  -0.00
     6   6     0.00   0.01  -0.05    -0.01  -0.03   0.20    -0.05   0.06   0.01
     7   6    -0.00  -0.02   0.07    -0.00   0.00  -0.04    -0.01  -0.03  -0.01
     8   7     0.05  -0.16  -0.09    -0.17  -0.08   0.02     0.09   0.09   0.01
     9   6    -0.05   0.20   0.00     0.21   0.09   0.05     0.08   0.10   0.02
    10   1     0.06  -0.36  -0.07    -0.34  -0.17  -0.06     0.15   0.14   0.04
    11   1    -0.00  -0.05   0.22    -0.02  -0.02   0.06    -0.16  -0.01  -0.00
    12   1    -0.08   0.33   0.12     0.37   0.18   0.03    -0.17  -0.16  -0.04
    13   1    -0.05   0.19  -0.00     0.21   0.03   0.26    -0.01   0.54   0.01
    14   1    -0.07   0.25  -0.15     0.21   0.12  -0.06     0.51   0.02   0.11
    15   1    -0.02  -0.04   0.31    -0.00   0.01  -0.13    -0.16  -0.15  -0.03
    16   1    -0.02  -0.02   0.21    -0.01  -0.03   0.20    -0.20   0.04   0.00
    17   1     0.00   0.02  -0.09    -0.02  -0.05   0.39    -0.07   0.14   0.03
    18   1     0.02   0.04  -0.29    -0.01  -0.01   0.09     0.11   0.08   0.02
    19   1     0.01   0.02  -0.19    -0.00   0.02  -0.22     0.12  -0.12  -0.01
    20   1     0.12  -0.12  -0.27    -0.11  -0.05  -0.07     0.15   0.07   0.10
                      4                      5                      6
                      A                      A                      A
 Frequencies --    249.2262               265.1189               315.4935
 Red. masses --      1.1827                 1.1420                 2.9878
 Frc consts  --      0.0433                 0.0473                 0.1752
 IR Inten    --     25.7132                12.8287                 1.9843
 RamAct Fr= 1--      0.4582                 0.2611                 1.3815
  Dep-P Fr= 1--      0.3391                 0.6683                 0.2428
  Dep-U Fr= 1--      0.5065                 0.8012                 0.3907
 Alpha2 Fr= 1--      0.0042                 0.0004                 0.0167
 Beta2  Fr= 1--      0.0387                 0.0349                 0.0900
 AlphaG Fr= 1--     -0.0007                 0.0017                -0.0074
 Gamma2 Fr= 1--     -0.2202                 0.0487                -0.7930
 Delta2 Fr= 1--      0.1938                 0.2021                -0.2195
 Raman1 Fr= 1--       1.833                  1.045                  5.526
 ROA1   Fr= 1--     -14.937                 11.139                -83.149
 CID1   Fr= 1--      -8.150                 10.665                -15.046
 Raman2 Fr= 1--       0.464                  0.418                  1.080
 ROA2   Fr= 1--      -6.835                 -0.449                -17.276
 CID2   Fr= 1--     -14.725                 -1.073                -16.001
 Raman3 Fr= 1--       0.928                  0.837                  2.159
 ROA3   Fr= 1--     -14.937                 11.139                -83.149
 CID3   Fr= 1--     -16.091                 13.311                -38.507
 RC180  Fr= 1--       0.013                  0.602                 -0.219
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.01     0.02  -0.00  -0.01    -0.09  -0.03   0.03
     2   6     0.00  -0.02   0.02     0.02  -0.03  -0.01    -0.09   0.01   0.13
     3   6    -0.01  -0.03  -0.00     0.00  -0.04  -0.01    -0.03   0.05   0.02
     4   6    -0.03  -0.03   0.01    -0.02  -0.03  -0.01    -0.04   0.04   0.14
     5   6    -0.03   0.00  -0.01    -0.03  -0.01   0.00    -0.04   0.00   0.04
     6   6    -0.02   0.02  -0.02    -0.01   0.01   0.01    -0.08  -0.01  -0.13
     7   6    -0.01   0.01  -0.01     0.01  -0.02  -0.00     0.03   0.01  -0.09
     8   7     0.03   0.08   0.01     0.03   0.03   0.02     0.04  -0.03  -0.13
     9   6     0.02  -0.02   0.01    -0.01   0.05  -0.02     0.24  -0.03  -0.00
    10   1    -0.28  -0.38  -0.11     0.24   0.38   0.10     0.21   0.15  -0.05
    11   1    -0.06   0.03  -0.06    -0.02  -0.02   0.02     0.06   0.01  -0.08
    12   1     0.26   0.19   0.04     0.25   0.39   0.11     0.46  -0.03  -0.14
    13   1     0.08  -0.31   0.12     0.07  -0.33   0.10     0.24  -0.07   0.27
    14   1    -0.24   0.04  -0.12    -0.36   0.17  -0.28     0.30  -0.04   0.01
    15   1    -0.04  -0.04   0.03    -0.05  -0.05  -0.04    -0.04   0.03   0.22
    16   1    -0.05   0.01  -0.01    -0.05   0.00   0.00     0.01  -0.02   0.06
    17   1    -0.02   0.03  -0.03    -0.01   0.03   0.02    -0.07  -0.02  -0.30
    18   1     0.02   0.02   0.02     0.04   0.02  -0.01    -0.11  -0.04   0.04
    19   1     0.02  -0.03   0.03     0.04  -0.04  -0.02    -0.15   0.02   0.20
    20   1     0.60   0.15  -0.25    -0.31  -0.04   0.27    -0.23  -0.05  -0.04
                      7                      8                      9
                      A                      A                      A
 Frequencies --    337.8994               412.9074               488.7767
 Red. masses --      3.4873                 2.9362                 3.0072
 Frc consts  --      0.2346                 0.2949                 0.4233
 IR Inten    --      3.2831                 0.2793                 3.0794
 RamAct Fr= 1--      1.6087                 0.0233                 3.9458
  Dep-P Fr= 1--      0.2528                 0.3419                 0.0687
  Dep-U Fr= 1--      0.4036                 0.5095                 0.1285
 Alpha2 Fr= 1--      0.0189                 0.0002                 0.0745
 Beta2  Fr= 1--      0.1082                 0.0020                 0.0845
 AlphaG Fr= 1--      0.0068                -0.0033                -0.0138
 Gamma2 Fr= 1--      0.7802                -0.2232                -0.1722
 Delta2 Fr= 1--      0.1577                -0.0249                -0.1838
 Raman1 Fr= 1--       6.435                  0.093                 15.783
 ROA1   Fr= 1--      79.948                -22.224                -22.414
 CID1   Fr= 1--      12.424               -238.886                 -1.420
 Raman2 Fr= 1--       1.298                  0.024                  1.014
 ROA2   Fr= 1--      17.465                 -5.157                 -2.663
 CID2   Fr= 1--      13.450               -217.601                 -2.625
 Raman3 Fr= 1--       2.597                  0.047                  2.029
 ROA3   Fr= 1--      79.948                -22.224                -22.414
 CID3   Fr= 1--      30.785               -468.844                -11.048
 RC180  Fr= 1--      -0.193                  0.019                 -0.743
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.01  -0.05     0.01   0.02  -0.20    -0.08  -0.05   0.00
     2   6    -0.10   0.04  -0.12    -0.01  -0.02   0.21    -0.05   0.01   0.00
     3   6    -0.03   0.06   0.03    -0.00   0.00  -0.00     0.05   0.06  -0.02
     4   6    -0.04   0.09  -0.13     0.01   0.02  -0.21    -0.03   0.10   0.01
     5   6    -0.04   0.02  -0.05    -0.00  -0.03   0.21    -0.04   0.03   0.02
     6   6    -0.10  -0.04   0.12     0.00   0.00  -0.00    -0.11  -0.03  -0.03
     7   6     0.04  -0.00   0.12    -0.00   0.00  -0.00     0.17  -0.12  -0.02
     8   7     0.26  -0.04  -0.05     0.00   0.00  -0.00     0.05  -0.03   0.21
     9   6     0.02  -0.07   0.12    -0.00  -0.00   0.00     0.04   0.03  -0.18
    10   1     0.55  -0.06   0.10    -0.02  -0.03  -0.01    -0.26  -0.02   0.05
    11   1     0.07  -0.01   0.14    -0.01   0.00  -0.00     0.24  -0.12  -0.06
    12   1     0.08  -0.10   0.07    -0.00  -0.01  -0.00    -0.21   0.16   0.07
    13   1     0.03  -0.17   0.13    -0.00  -0.00   0.00     0.02   0.18  -0.41
    14   1    -0.06  -0.09   0.20     0.01  -0.01   0.01     0.09   0.09  -0.40
    15   1    -0.03   0.10  -0.22     0.02   0.05  -0.45    -0.05   0.08   0.03
    16   1     0.02   0.00  -0.08    -0.01  -0.05   0.44     0.05  -0.01   0.04
    17   1    -0.10  -0.10   0.29     0.00   0.00  -0.02    -0.11  -0.05  -0.05
    18   1    -0.12  -0.02  -0.08     0.01   0.05  -0.46    -0.07  -0.04   0.03
    19   1    -0.16   0.08  -0.20    -0.01  -0.05   0.45    -0.16   0.05   0.03
    20   1     0.22  -0.03  -0.08     0.01   0.01  -0.02     0.27  -0.06   0.30
                     10                     11                     12
                      A                      A                      A
 Frequencies --    551.0679               598.3501               638.6372
 Red. masses --      2.8614                 3.0079                 6.3589
 Frc consts  --      0.5120                 0.6345                 1.5281
 IR Inten    --     20.9867                 8.0942                 0.0177
 RamAct Fr= 1--      0.2121                 1.4799                 4.3657
  Dep-P Fr= 1--      0.5350                 0.7403                 0.7333
  Dep-U Fr= 1--      0.6971                 0.8508                 0.8461
 Alpha2 Fr= 1--      0.0009                 0.0002                 0.0012
 Beta2  Fr= 1--      0.0246                 0.2098                 0.6156
 AlphaG Fr= 1--      0.0011                -0.0005                -0.0018
 Gamma2 Fr= 1--      0.0581                 0.3079                -0.0095
 Delta2 Fr= 1--     -0.0052                 0.1428                -0.0054
 Raman1 Fr= 1--       0.848                  5.920                 17.463
 ROA1   Fr= 1--       5.415                 34.128                 -1.089
 CID1   Fr= 1--       6.382                  5.765                 -0.062
 Raman2 Fr= 1--       0.296                  2.518                  7.388
 ROA2   Fr= 1--       1.437                  6.246                 -0.186
 CID2   Fr= 1--       4.857                  2.481                 -0.025
 Raman3 Fr= 1--       0.591                  5.036                 14.776
 ROA3   Fr= 1--       5.415                 34.128                 -1.089
 CID3   Fr= 1--       9.155                  6.777                 -0.074
 RC180  Fr= 1--       0.394                  0.702                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02  -0.13     0.01  -0.09  -0.02     0.29  -0.21  -0.02
     2   6    -0.00   0.01   0.06     0.04  -0.17  -0.01     0.21   0.22   0.03
     3   6    -0.01  -0.03   0.26     0.16  -0.03   0.03    -0.00   0.13   0.02
     4   6    -0.00  -0.00   0.06    -0.01   0.01   0.01    -0.27   0.17   0.01
     5   6     0.01   0.01  -0.13    -0.06   0.08  -0.01    -0.22  -0.26  -0.04
     6   6     0.00  -0.02   0.19    -0.16   0.00   0.02     0.00  -0.14  -0.02
     7   6    -0.01  -0.03  -0.06     0.16   0.23   0.04     0.01   0.04   0.01
     8   7    -0.06   0.02  -0.01    -0.04  -0.01  -0.02    -0.01   0.02  -0.02
     9   6     0.07   0.00  -0.08    -0.00   0.01   0.01    -0.01   0.01   0.03
    10   1    -0.19   0.02  -0.08    -0.22  -0.09  -0.10    -0.02   0.00  -0.02
    11   1     0.03  -0.01  -0.14     0.14   0.21   0.10     0.04   0.03   0.01
    12   1     0.15   0.05  -0.09    -0.08  -0.15  -0.07    -0.00  -0.02   0.00
    13   1     0.05   0.06   0.08     0.05  -0.17  -0.28    -0.00  -0.01   0.01
    14   1     0.18   0.02  -0.18    -0.25  -0.06   0.32    -0.03  -0.00   0.08
    15   1     0.02   0.04  -0.26    -0.18  -0.12  -0.05    -0.15   0.26   0.03
    16   1     0.02   0.05  -0.49     0.01   0.06  -0.05    -0.06  -0.33  -0.03
    17   1     0.00  -0.03   0.20    -0.16   0.02   0.00    -0.06   0.29   0.04
    18   1     0.00   0.05  -0.49     0.17   0.04  -0.06     0.18  -0.30  -0.02
    19   1     0.01   0.04  -0.24    -0.04  -0.13  -0.04     0.05   0.28   0.04
    20   1    -0.05   0.01   0.01    -0.41   0.04  -0.24    -0.04   0.03  -0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    712.2166               764.0481               778.7930
 Red. masses --      1.6891                 3.4832                 1.9567
 Frc consts  --      0.5048                 1.1980                 0.6992
 IR Inten    --     50.6057                25.9129                20.2511
 RamAct Fr= 1--      0.0326                10.7137                 1.1663
  Dep-P Fr= 1--      0.7439                 0.0168                 0.4793
  Dep-U Fr= 1--      0.8532                 0.0330                 0.6481
 Alpha2 Fr= 1--      0.0000                 0.2289                 0.0063
 Beta2  Fr= 1--      0.0046                 0.0589                 0.1260
 AlphaG Fr= 1--     -0.0001                -0.0325                -0.0069
 Gamma2 Fr= 1--      0.0273                 0.4390                 0.0814
 Delta2 Fr= 1--      0.0099                -0.0256                 0.0234
 Raman1 Fr= 1--       0.130                 42.855                  4.665
 ROA1   Fr= 1--       2.940                 41.322                  8.567
 CID1   Fr= 1--      22.575                  0.964                  1.836
 Raman2 Fr= 1--       0.056                  0.707                  1.512
 ROA2   Fr= 1--       0.577                 10.741                  1.767
 CID2   Fr= 1--      10.379                 15.187                  1.169
 Raman3 Fr= 1--       0.111                  1.414                  3.023
 ROA3   Fr= 1--       2.940                 41.322                  8.567
 CID3   Fr= 1--      26.460                 29.215                  2.834
 RC180  Fr= 1--       0.706                 -0.934                  0.296
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02  -0.14     0.08  -0.15  -0.01    -0.01   0.01   0.01
     2   6    -0.00  -0.01   0.07     0.08  -0.12  -0.03    -0.00   0.02  -0.08
     3   6     0.00   0.01  -0.09     0.10   0.01   0.05    -0.01  -0.03   0.22
     4   6    -0.00  -0.01   0.06     0.04   0.18  -0.01    -0.00  -0.01  -0.09
     5   6     0.00   0.02  -0.14     0.07   0.18   0.03    -0.01  -0.02   0.01
     6   6    -0.00  -0.01   0.07    -0.16  -0.02  -0.03     0.02   0.02  -0.13
     7   6     0.00  -0.00   0.00    -0.12  -0.15  -0.03     0.00   0.02   0.00
     8   7    -0.00  -0.00  -0.00    -0.08   0.04  -0.08     0.01   0.00   0.01
     9   6     0.00   0.00   0.00    -0.07  -0.02   0.08     0.02  -0.01  -0.05
    10   1     0.05   0.03   0.02     0.21   0.15   0.05    -0.14  -0.04  -0.06
    11   1    -0.01  -0.00   0.02    -0.08  -0.12  -0.14     0.03   0.03  -0.04
    12   1    -0.02  -0.01   0.00     0.04   0.12   0.13     0.09  -0.01  -0.09
    13   1     0.00  -0.01  -0.03    -0.12   0.16   0.41     0.02   0.00   0.03
    14   1    -0.03  -0.00   0.02     0.18   0.03  -0.18     0.07  -0.01  -0.05
    15   1    -0.02  -0.06   0.51    -0.03   0.12   0.03    -0.00  -0.02   0.00
    16   1    -0.01  -0.03   0.22     0.30   0.08   0.12    -0.05  -0.06   0.50
    17   1    -0.02  -0.07   0.56    -0.15  -0.06   0.09    -0.00  -0.06   0.56
    18   1    -0.01  -0.03   0.21     0.25  -0.02   0.11    -0.03  -0.06   0.52
    19   1    -0.02  -0.06   0.50    -0.04  -0.08  -0.00     0.00   0.00   0.01
    20   1     0.04  -0.00   0.02     0.33   0.01   0.10    -0.15   0.01  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    852.3730               871.8380               916.5275
 Red. masses --      1.2717                 1.6578                 1.7408
 Frc consts  --      0.5444                 0.7424                 0.8616
 IR Inten    --     11.7229               181.8486                 1.1431
 RamAct Fr= 1--      1.9972                 3.1522                 3.6237
  Dep-P Fr= 1--      0.6354                 0.1235                 0.5538
  Dep-U Fr= 1--      0.7770                 0.2199                 0.7128
 Alpha2 Fr= 1--      0.0041                 0.0521                 0.0136
 Beta2  Fr= 1--      0.2587                 0.1155                 0.4305
 AlphaG Fr= 1--      0.0024                 0.0540                 0.0057
 Gamma2 Fr= 1--     -0.0472                -0.7418                 1.1745
 Delta2 Fr= 1--      0.1499                -0.1192                -0.3063
 Raman1 Fr= 1--       7.989                 12.609                 14.495
 ROA1   Fr= 1--       0.266                -75.029                102.948
 CID1   Fr= 1--       0.033                 -5.950                  7.102
 Raman2 Fr= 1--       3.104                  1.386                  5.166
 ROA2   Fr= 1--      -2.332                -16.850                 30.637
 CID2   Fr= 1--      -0.751                -12.155                  5.930
 Raman3 Fr= 1--       6.208                  2.773                 10.332
 ROA3   Fr= 1--       0.266                -75.029                102.948
 CID3   Fr= 1--       0.043                -27.061                  9.964
 RC180  Fr= 1--       0.554                 -0.560                  0.426
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.07     0.02  -0.02   0.02    -0.03   0.03  -0.00
     2   6    -0.00  -0.01   0.07     0.00  -0.01   0.02    -0.01   0.01   0.08
     3   6    -0.00  -0.00   0.02    -0.00   0.00  -0.04     0.02   0.01  -0.05
     4   6     0.00   0.00  -0.09     0.00   0.03  -0.00    -0.01  -0.03   0.07
     5   6    -0.00   0.00  -0.06     0.02   0.04  -0.03    -0.01  -0.03  -0.02
     6   6     0.00   0.00   0.00    -0.01  -0.01   0.01     0.01   0.01  -0.07
     7   6     0.01   0.01   0.01    -0.07  -0.01  -0.07     0.10  -0.06  -0.04
     8   7    -0.04  -0.00  -0.01     0.17  -0.01   0.07    -0.01   0.04  -0.06
     9   6     0.01   0.00  -0.01    -0.06   0.00   0.02    -0.02  -0.02   0.14
    10   1     0.12   0.04   0.06    -0.55  -0.16  -0.25    -0.16   0.07  -0.14
    11   1     0.02  -0.00   0.04    -0.09  -0.01  -0.09     0.14  -0.03  -0.15
    12   1    -0.01  -0.01  -0.00     0.11   0.01  -0.07    -0.23   0.14   0.39
    13   1     0.02  -0.01  -0.06    -0.09   0.06   0.30    -0.04   0.10  -0.03
    14   1    -0.03   0.00   0.01     0.10  -0.01  -0.01    -0.02   0.05  -0.10
    15   1    -0.01  -0.06   0.52    -0.02  -0.00   0.14     0.00   0.02  -0.39
    16   1    -0.03  -0.06   0.44     0.06  -0.00   0.16    -0.04  -0.03   0.07
    17   1     0.00   0.01  -0.01    -0.01  -0.01  -0.05    -0.00  -0.07   0.46
    18   1     0.01   0.06  -0.46     0.04   0.01  -0.16    -0.07   0.01  -0.01
    19   1     0.02   0.06  -0.49    -0.00   0.01  -0.10     0.01   0.07  -0.43
    20   1     0.13  -0.00   0.02    -0.56  -0.01  -0.06    -0.08   0.03  -0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    927.3685               957.6200               973.8325
 Red. masses --      1.6496                 1.3590                 1.2313
 Frc consts  --      0.8359                 0.7343                 0.6880
 IR Inten    --      1.5719                 0.4671                 0.1439
 RamAct Fr= 1--      2.2647                 0.0435                 0.0096
  Dep-P Fr= 1--      0.6659                 0.7171                 0.6193
  Dep-U Fr= 1--      0.7995                 0.8352                 0.7649
 Alpha2 Fr= 1--      0.0034                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3018                 0.0061                 0.0012
 AlphaG Fr= 1--     -0.0056                -0.0016                -0.0014
 Gamma2 Fr= 1--     -1.7281                 0.1764                 0.1102
 Delta2 Fr= 1--      0.1429                -0.0132                -0.0476
 Raman1 Fr= 1--       9.059                  0.174                  0.038
 ROA1   Fr= 1--    -161.327                 16.514                  9.051
 CID1   Fr= 1--     -17.809                 94.841                235.453
 Raman2 Fr= 1--       3.621                  0.073                  0.015
 ROA2   Fr= 1--     -42.619                  4.340                  3.025
 CID2   Fr= 1--     -11.770                 59.688                205.767
 Raman3 Fr= 1--       7.242                  0.145                  0.029
 ROA3   Fr= 1--    -161.327                 16.514                  9.051
 CID3   Fr= 1--     -22.276                113.553                307.829
 RC180  Fr= 1--       0.599                  0.670                  0.530
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.03  -0.01     0.00  -0.01   0.08     0.00   0.01  -0.08
     2   6     0.00  -0.03   0.08     0.00   0.01  -0.08    -0.00  -0.00   0.04
     3   6    -0.03   0.00  -0.07    -0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.01   0.08    -0.00  -0.01   0.09    -0.00  -0.00   0.03
     5   6     0.02   0.03   0.00     0.00   0.01  -0.10     0.00   0.01  -0.07
     6   6    -0.01   0.01  -0.07    -0.00  -0.00   0.00    -0.00  -0.01   0.08
     7   6    -0.09   0.04   0.01    -0.00   0.00   0.01    -0.00   0.00  -0.00
     8   7     0.02  -0.05   0.07    -0.01   0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01   0.04  -0.09     0.01  -0.00  -0.01     0.00   0.00  -0.00
    10   1     0.18  -0.06   0.15     0.05  -0.01   0.03     0.02  -0.00   0.01
    11   1    -0.18   0.00   0.20    -0.01   0.01  -0.00    -0.01  -0.00   0.01
    12   1     0.17  -0.15  -0.35    -0.00  -0.00  -0.00     0.00  -0.01  -0.01
    13   1     0.04  -0.13  -0.02     0.01  -0.01  -0.02     0.00  -0.01  -0.01
    14   1    -0.05  -0.04   0.19     0.01  -0.00  -0.02    -0.01  -0.00   0.01
    15   1     0.03   0.08  -0.38     0.02   0.05  -0.49     0.01   0.03  -0.24
    16   1     0.05   0.02  -0.03    -0.02  -0.06   0.56    -0.02  -0.05   0.47
    17   1    -0.02  -0.04   0.45    -0.00   0.01  -0.03     0.02   0.06  -0.53
    18   1     0.06  -0.01  -0.01     0.02   0.05  -0.46    -0.02  -0.07   0.55
    19   1     0.02   0.03  -0.43    -0.02  -0.05   0.43     0.01   0.04  -0.33
    20   1     0.15  -0.05   0.08     0.03   0.01  -0.01     0.03  -0.00   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1010.5476              1023.9451              1041.0364
 Red. masses --      1.4134                 4.7221                 1.9037
 Frc consts  --      0.8504                 2.9170                 1.2156
 IR Inten    --      2.6104                 1.7153                30.6733
 RamAct Fr= 1--      3.7019                55.8212                 6.1396
  Dep-P Fr= 1--      0.5695                 0.0519                 0.1213
  Dep-U Fr= 1--      0.7257                 0.0986                 0.2164
 Alpha2 Fr= 1--      0.0126                 1.0977                 0.1020
 Beta2  Fr= 1--      0.4478                 0.9177                 0.2215
 AlphaG Fr= 1--     -0.0192                -0.0038                -0.0495
 Gamma2 Fr= 1--      1.0184                 0.7033                 0.8903
 Delta2 Fr= 1--     -0.0994                 0.1801                 1.0740
 Raman1 Fr= 1--      14.808                223.285                 24.558
 ROA1   Fr= 1--      94.587                 73.277                119.832
 CID1   Fr= 1--       6.388                  0.328                  4.880
 Raman2 Fr= 1--       5.373                 11.013                  2.657
 ROA2   Fr= 1--      25.237                 15.438                 12.775
 CID2   Fr= 1--       4.697                  1.402                  4.807
 Raman3 Fr= 1--      10.746                 22.026                  5.315
 ROA3   Fr= 1--      94.587                 73.277                119.832
 CID3   Fr= 1--       8.802                  3.327                 22.547
 RC180  Fr= 1--       0.451                 -0.803                 -0.567
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02   0.00    -0.01   0.03   0.00    -0.04   0.07   0.01
     2   6     0.01   0.03  -0.01    -0.12  -0.29  -0.04    -0.02  -0.10  -0.01
     3   6     0.02  -0.01   0.03    -0.02  -0.03   0.02     0.07   0.05  -0.01
     4   6     0.01  -0.01  -0.01    -0.20   0.29   0.02    -0.00   0.02   0.01
     5   6    -0.00  -0.02  -0.00    -0.00  -0.01  -0.00    -0.04  -0.13  -0.02
     6   6    -0.03  -0.01   0.00     0.31   0.03   0.01     0.02   0.03   0.00
     7   6     0.06  -0.06  -0.09     0.01  -0.06   0.00     0.05   0.09  -0.05
     8   7     0.00  -0.02  -0.03     0.01   0.03  -0.03    -0.02  -0.06   0.05
     9   6    -0.05   0.10   0.05     0.05   0.03   0.02    -0.12  -0.01  -0.01
    10   1    -0.29   0.29  -0.21    -0.17   0.06  -0.12     0.19   0.01   0.13
    11   1     0.03  -0.14   0.24    -0.20  -0.07   0.17     0.33   0.10  -0.25
    12   1     0.10  -0.18  -0.25    -0.11  -0.07   0.04     0.24   0.08  -0.14
    13   1     0.01  -0.17   0.10     0.09  -0.11  -0.28    -0.18   0.15   0.56
    14   1    -0.17  -0.02   0.49    -0.17   0.01   0.15     0.26  -0.03  -0.09
    15   1     0.02  -0.01  -0.00    -0.15   0.34   0.03     0.10   0.10  -0.01
    16   1     0.01  -0.03   0.02     0.06  -0.02   0.01    -0.05  -0.13  -0.02
    17   1    -0.02  -0.04  -0.03     0.33  -0.02  -0.00     0.00   0.14   0.02
    18   1    -0.04   0.02  -0.01    -0.01   0.02   0.00     0.08   0.17   0.02
    19   1     0.03   0.02   0.08    -0.06  -0.33  -0.01     0.00  -0.11  -0.02
    20   1     0.28  -0.12   0.37    -0.05   0.00   0.04     0.21  -0.05   0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1056.8309              1106.9925              1139.3551
 Red. masses --      1.9794                 1.5828                 2.4610
 Frc consts  --      1.3025                 1.1428                 1.8822
 IR Inten    --      0.3809                 8.7004                 7.4261
 RamAct Fr= 1--     14.6711                 1.5045                 4.8162
  Dep-P Fr= 1--      0.0492                 0.1121                 0.6444
  Dep-U Fr= 1--      0.0937                 0.2016                 0.7837
 Alpha2 Fr= 1--      0.2904                 0.0256                 0.0092
 Beta2  Fr= 1--      0.2291                 0.0505                 0.6291
 AlphaG Fr= 1--      0.0297                 0.0104                 0.0388
 Gamma2 Fr= 1--     -0.7445                 0.1823                -2.3454
 Delta2 Fr= 1--     -0.4725                 0.0752                -0.4736
 Raman1 Fr= 1--      58.685                  6.018                 19.265
 ROA1   Fr= 1--     -86.592                 19.908               -240.313
 CID1   Fr= 1--      -1.476                  3.308                -12.474
 Raman2 Fr= 1--       2.749                  0.607                  7.549
 ROA2   Fr= 1--     -14.087                  3.774                -52.501
 CID2   Fr= 1--      -5.124                  6.222                 -6.954
 Raman3 Fr= 1--       5.499                  1.213                 15.099
 ROA3   Fr= 1--     -86.592                 19.908               -240.313
 CID3   Fr= 1--     -15.748                 16.412                -15.916
 RC180  Fr= 1--      -0.813                 -0.597                  0.567
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.16   0.02     0.08  -0.05  -0.00    -0.01   0.00   0.00
     2   6     0.07  -0.03   0.00    -0.10  -0.05  -0.01    -0.02  -0.00   0.01
     3   6    -0.01  -0.02  -0.00    -0.06   0.04   0.01     0.07   0.02  -0.05
     4   6     0.03   0.07   0.01     0.11  -0.02  -0.00     0.03  -0.01   0.01
     5   6     0.02  -0.14  -0.02    -0.03  -0.05  -0.01    -0.03  -0.02  -0.00
     6   6    -0.14  -0.03  -0.01    -0.03   0.08   0.01     0.01   0.01  -0.00
     7   6    -0.04  -0.03   0.04    -0.02  -0.01  -0.02     0.05  -0.10   0.26
     8   7     0.01   0.03  -0.01     0.02  -0.00  -0.01    -0.02   0.10  -0.10
     9   6     0.05  -0.00  -0.01     0.03   0.00   0.02    -0.05  -0.03  -0.12
    10   1    -0.05  -0.05  -0.03    -0.09   0.04  -0.07    -0.28   0.09  -0.22
    11   1    -0.19  -0.03   0.10    -0.01  -0.03   0.04     0.07  -0.16   0.51
    12   1    -0.08  -0.02   0.04    -0.09  -0.01   0.08     0.27  -0.01  -0.28
    13   1     0.06  -0.05  -0.20     0.05  -0.03  -0.16    -0.07   0.00   0.29
    14   1    -0.07   0.01  -0.02    -0.08   0.02   0.01     0.28  -0.07  -0.14
    15   1     0.27   0.26   0.04     0.45   0.24   0.05     0.03  -0.01  -0.04
    16   1     0.39  -0.30  -0.02    -0.19   0.01  -0.00    -0.14   0.02  -0.01
    17   1    -0.15  -0.08  -0.02    -0.10   0.53   0.06     0.00   0.09   0.02
    18   1     0.21   0.36   0.05     0.31   0.11   0.03    -0.04  -0.02  -0.01
    19   1     0.40  -0.15  -0.01    -0.41   0.06   0.01    -0.17   0.07  -0.06
    20   1    -0.15   0.04  -0.08     0.01  -0.03   0.08    -0.14   0.09  -0.05
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1184.4601              1205.1907              1213.7678
 Red. masses --      1.1162                 1.1708                 2.1272
 Frc consts  --      0.9226                 1.0020                 1.8464
 IR Inten    --      0.1795                 0.0201                 3.6702
 RamAct Fr= 1--      4.1361                 7.3480                14.5809
  Dep-P Fr= 1--      0.7437                 0.2370                 0.1077
  Dep-U Fr= 1--      0.8530                 0.3832                 0.1944
 Alpha2 Fr= 1--      0.0004                 0.0903                 0.2505
 Beta2  Fr= 1--      0.5880                 0.4693                 0.4725
 AlphaG Fr= 1--      0.0006                 0.0339                 0.0362
 Gamma2 Fr= 1--     -0.1462                 0.0178                 0.3537
 Delta2 Fr= 1--      0.0325                 0.0491                 0.1968
 Raman1 Fr= 1--      16.544                 29.392                 58.324
 ROA1   Fr= 1--     -12.995                  3.282                 40.254
 CID1   Fr= 1--      -0.785                  0.112                  0.690
 Raman2 Fr= 1--       7.056                  5.631                  5.670
 ROA2   Fr= 1--      -3.769                  0.035                  6.915
 CID2   Fr= 1--      -0.534                  0.006                  1.220
 Raman3 Fr= 1--      14.112                 11.262                 11.339
 ROA3   Fr= 1--     -12.995                  3.282                 40.254
 CID3   Fr= 1--      -0.921                  0.291                  3.550
 RC180  Fr= 1--       0.706                 -0.234                 -0.611
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.00    -0.02  -0.04  -0.01    -0.07   0.03   0.00
     2   6     0.01  -0.01  -0.00     0.05  -0.03  -0.00     0.03   0.02   0.00
     3   6     0.01   0.00   0.00    -0.06  -0.00  -0.00     0.24  -0.01   0.01
     4   6    -0.00  -0.01  -0.00     0.03   0.03   0.00     0.07   0.04   0.01
     5   6     0.04  -0.02  -0.00    -0.03   0.04   0.00    -0.09  -0.05  -0.01
     6   6    -0.01   0.07   0.01    -0.01  -0.00  -0.00     0.01   0.00   0.00
     7   6    -0.01  -0.00   0.00     0.02   0.02   0.01    -0.08  -0.08  -0.04
     8   7     0.00   0.00  -0.00     0.00  -0.00  -0.01    -0.01   0.01   0.03
     9   6     0.00   0.00  -0.00    -0.01  -0.01  -0.00     0.02   0.04   0.00
    10   1    -0.00  -0.00  -0.00    -0.05   0.04  -0.03     0.19  -0.18   0.15
    11   1    -0.01  -0.01   0.01     0.10   0.01   0.03    -0.45   0.00  -0.16
    12   1    -0.01  -0.00   0.00     0.02   0.02   0.01    -0.07  -0.07  -0.03
    13   1     0.00  -0.00  -0.01    -0.01   0.02   0.01     0.04  -0.08  -0.05
    14   1    -0.01   0.00   0.00     0.04  -0.00  -0.04    -0.14   0.01   0.13
    15   1    -0.13  -0.10  -0.02     0.41   0.32   0.05     0.12   0.07   0.02
    16   1     0.43  -0.17  -0.01    -0.39   0.18   0.01    -0.45   0.08  -0.01
    17   1    -0.10   0.66   0.07    -0.01  -0.03  -0.00    -0.00   0.07   0.01
    18   1    -0.40  -0.31  -0.05    -0.31  -0.27  -0.04    -0.36  -0.18  -0.03
    19   1     0.16  -0.07  -0.00     0.54  -0.22  -0.01    -0.21   0.12   0.01
    20   1    -0.00   0.00   0.00     0.02  -0.02   0.04    -0.15   0.07  -0.19
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1267.1470              1309.0859              1354.1959
 Red. masses --      1.7513                 2.2104                 2.3234
 Frc consts  --      1.6568                 2.2319                 2.5104
 IR Inten    --     10.6710                 8.1742                 1.4248
 RamAct Fr= 1--     10.8443                 0.9065                 1.2686
  Dep-P Fr= 1--      0.0909                 0.5307                 0.5919
  Dep-U Fr= 1--      0.1666                 0.6934                 0.7437
 Alpha2 Fr= 1--      0.1942                 0.0038                 0.0037
 Beta2  Fr= 1--      0.3011                 0.1048                 0.1572
 AlphaG Fr= 1--     -0.1141                 0.0112                -0.0017
 Gamma2 Fr= 1--     -1.2625                 0.9828                 0.3646
 Delta2 Fr= 1--      0.1841                -0.2103                -0.5043
 Raman1 Fr= 1--      43.377                  3.626                  5.074
 ROA1   Fr= 1--    -115.315                 87.619                 18.864
 CID1   Fr= 1--      -2.658                 24.164                  3.717
 Raman2 Fr= 1--       3.613                  1.257                  1.887
 ROA2   Fr= 1--     -31.774                 25.270                 12.785
 CID2   Fr= 1--      -8.795                 20.100                  6.776
 Raman3 Fr= 1--       7.225                  2.514                  3.774
 ROA3   Fr= 1--    -115.315                 87.619                 18.864
 CID3   Fr= 1--     -15.960                 34.847                  4.999
 RC180  Fr= 1--      -0.667                  0.387                  0.487
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01   0.00    -0.08  -0.07  -0.01    -0.09  -0.06  -0.01
     2   6     0.04  -0.02  -0.00     0.06  -0.06  -0.00     0.17  -0.04  -0.00
     3   6     0.09   0.05   0.01     0.01   0.21   0.01    -0.03   0.04   0.01
     4   6    -0.00  -0.01   0.00    -0.03  -0.06  -0.01    -0.15  -0.09  -0.01
     5   6    -0.01  -0.03  -0.00     0.07  -0.06  -0.00     0.11  -0.03   0.00
     6   6     0.01   0.01   0.00    -0.00   0.07   0.01    -0.02   0.17   0.02
     7   6    -0.13   0.13  -0.02    -0.12  -0.08   0.03     0.06   0.00  -0.02
     8   7     0.04  -0.05  -0.03     0.02   0.04  -0.00    -0.00  -0.00   0.01
     9   6     0.05  -0.10   0.01     0.05   0.06  -0.00    -0.02  -0.01   0.01
    10   1    -0.24   0.22  -0.19    -0.00  -0.10   0.01     0.03  -0.01   0.02
    11   1    -0.09  -0.01   0.50     0.59  -0.12  -0.22    -0.35   0.03   0.10
    12   1    -0.09   0.10   0.24    -0.09  -0.13  -0.08     0.04   0.03   0.00
    13   1    -0.01   0.20  -0.13     0.08  -0.12  -0.12    -0.02  -0.02   0.01
    14   1    -0.00   0.01  -0.32    -0.15   0.03   0.14     0.09  -0.01  -0.03
    15   1    -0.14  -0.12  -0.03    -0.24  -0.22  -0.03     0.41   0.35   0.06
    16   1    -0.12   0.01  -0.01    -0.31   0.09  -0.00     0.13  -0.03   0.00
    17   1     0.01  -0.06  -0.01     0.01  -0.05  -0.01     0.05  -0.34  -0.04
    18   1    -0.05  -0.00  -0.00     0.20   0.14   0.02    -0.09  -0.06  -0.01
    19   1    -0.01   0.01   0.00     0.24  -0.14  -0.02    -0.49   0.22   0.02
    20   1     0.25  -0.16   0.39    -0.09   0.03  -0.03    -0.03   0.02  -0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1379.4214              1400.4956              1410.4182
 Red. masses --      1.4056                 1.2045                 1.2753
 Frc consts  --      1.5758                 1.3920                 1.4948
 IR Inten    --      3.0787                 3.2215                 7.9655
 RamAct Fr= 1--      3.8189                 2.5099                 2.3009
  Dep-P Fr= 1--      0.4105                 0.6399                 0.6301
  Dep-U Fr= 1--      0.5821                 0.7804                 0.7731
 Alpha2 Fr= 1--      0.0272                 0.0050                 0.0050
 Beta2  Fr= 1--      0.3705                 0.3265                 0.2965
 AlphaG Fr= 1--      0.0197                 0.0018                 0.0045
 Gamma2 Fr= 1--     -1.3622                 1.1004                 0.3417
 Delta2 Fr= 1--     -0.7119                 0.5204                 0.3325
 Raman1 Fr= 1--      15.276                 10.040                  9.204
 ROA1   Fr= 1--    -153.554                122.290                 43.446
 CID1   Fr= 1--     -10.052                 12.181                  4.721
 Raman2 Fr= 1--       4.446                  3.918                  3.558
 ROA2   Fr= 1--     -26.999                 22.247                  5.541
 CID2   Fr= 1--      -6.073                  5.678                  1.557
 Raman3 Fr= 1--       8.891                  7.835                  7.115
 ROA3   Fr= 1--    -153.554                122.290                 43.446
 CID3   Fr= 1--     -17.270                 15.607                  6.106
 RC180  Fr= 1--       0.164                  0.561                  0.546
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.01     0.03   0.02   0.00    -0.01  -0.01  -0.00
     2   6    -0.02   0.01  -0.00     0.00  -0.01  -0.00     0.00   0.01   0.00
     3   6    -0.03   0.07   0.02     0.00  -0.03   0.00    -0.01   0.01  -0.01
     4   6     0.01   0.01   0.00    -0.00  -0.01  -0.00    -0.01  -0.00   0.00
     5   6     0.05  -0.02  -0.00    -0.04   0.02   0.00     0.02  -0.00   0.00
     6   6     0.00  -0.01  -0.00     0.00   0.01   0.00    -0.00   0.00  -0.00
     7   6     0.09  -0.02  -0.10    -0.04  -0.00  -0.07     0.01   0.01   0.07
     8   7    -0.02   0.02   0.03    -0.01   0.04   0.02     0.01  -0.03  -0.02
     9   6    -0.03  -0.03  -0.01     0.04  -0.01  -0.05     0.05  -0.01  -0.12
    10   1     0.16  -0.11   0.13     0.12  -0.17   0.11    -0.11   0.09  -0.09
    11   1    -0.44  -0.10   0.51     0.49  -0.22   0.45    -0.27   0.16  -0.32
    12   1    -0.02   0.09   0.09    -0.25   0.07   0.19    -0.33   0.20   0.31
    13   1    -0.05   0.05   0.15    -0.01   0.08   0.31    -0.00   0.09   0.47
    14   1     0.05  -0.04   0.02    -0.19  -0.05   0.19    -0.22  -0.12   0.41
    15   1    -0.20  -0.16  -0.01     0.13   0.09   0.01    -0.01  -0.00  -0.01
    16   1    -0.25   0.09   0.00     0.16  -0.06  -0.00    -0.05   0.03   0.00
    17   1    -0.03   0.19   0.02     0.02  -0.13  -0.01    -0.01   0.04   0.00
    18   1     0.23   0.16   0.03    -0.13  -0.10  -0.02     0.06   0.04   0.01
    19   1     0.27  -0.11   0.01    -0.13   0.04   0.01     0.05  -0.01  -0.01
    20   1    -0.09   0.08  -0.20    -0.11   0.08  -0.13     0.07  -0.07   0.13
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1490.8963              1491.9418              1496.3806
 Red. masses --      1.4810                 1.2224                 1.1326
 Frc consts  --      1.9395                 1.6031                 1.4942
 IR Inten    --      3.2431                12.5479                 1.7831
 RamAct Fr= 1--      1.9096                 2.7994                 4.3213
  Dep-P Fr= 1--      0.7429                 0.7162                 0.6977
  Dep-U Fr= 1--      0.8525                 0.8346                 0.8219
 Alpha2 Fr= 1--      0.0002                 0.0016                 0.0039
 Beta2  Fr= 1--      0.2713                 0.3894                 0.5920
 AlphaG Fr= 1--     -0.0029                 0.0023                -0.0333
 Gamma2 Fr= 1--      3.3944                -3.5310                -1.0109
 Delta2 Fr= 1--     -0.9935                 1.4354                -1.2873
 Raman1 Fr= 1--       7.638                 11.198                 17.285
 ROA1   Fr= 1--     294.075               -293.044               -138.235
 CID1   Fr= 1--      38.500                -26.170                 -7.997
 Raman2 Fr= 1--       3.256                  4.673                  7.104
 ROA2   Fr= 1--      89.414                -96.228                -13.962
 CID2   Fr= 1--      27.462                -20.593                 -1.966
 Raman3 Fr= 1--       6.512                  9.346                 14.207
 ROA3   Fr= 1--     294.075               -293.044               -138.235
 CID3   Fr= 1--      45.160                -31.356                 -9.730
 RC180  Fr= 1--       0.705                  0.669                  0.644
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.01   0.00    -0.06  -0.00  -0.00     0.03  -0.00   0.00
     2   6    -0.04  -0.05  -0.01     0.04   0.02   0.00    -0.02  -0.01  -0.00
     3   6    -0.02   0.10   0.01     0.01  -0.06  -0.01    -0.01   0.04   0.00
     4   6     0.07  -0.02  -0.00    -0.04   0.02   0.00     0.02  -0.01  -0.00
     5   6    -0.08  -0.03  -0.01     0.05   0.01   0.00    -0.03  -0.01  -0.00
     6   6    -0.02   0.08   0.01     0.01  -0.05  -0.01    -0.01   0.04   0.00
     7   6    -0.00  -0.03  -0.01    -0.03  -0.00  -0.00     0.03  -0.03   0.01
     8   7     0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.00   0.00   0.00
     9   6    -0.04  -0.01  -0.02    -0.02  -0.04  -0.01     0.03  -0.03   0.02
    10   1     0.01  -0.04   0.01     0.02  -0.05   0.02     0.01   0.02   0.00
    11   1    -0.15  -0.00  -0.02     0.20  -0.04  -0.02    -0.12   0.01  -0.05
    12   1     0.23   0.42   0.19     0.45   0.42   0.08     0.25  -0.15  -0.23
    13   1     0.00  -0.07  -0.28    -0.08   0.37  -0.33    -0.12   0.62   0.04
    14   1     0.31  -0.16   0.37    -0.05  -0.13   0.39    -0.60   0.08  -0.09
    15   1    -0.09  -0.15  -0.01     0.04   0.08   0.01    -0.01  -0.04  -0.01
    16   1     0.16  -0.13  -0.01    -0.14   0.09   0.01     0.08  -0.06  -0.00
    17   1     0.05  -0.39  -0.04    -0.04   0.24   0.03     0.02  -0.16  -0.02
    18   1    -0.19  -0.21  -0.03     0.09   0.12   0.02    -0.05  -0.08  -0.01
    19   1     0.06  -0.10  -0.01    -0.09   0.08   0.01     0.06  -0.05  -0.00
    20   1    -0.01  -0.01   0.03    -0.03   0.00   0.02    -0.01   0.02  -0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1532.7138              1629.5175              1647.5853
 Red. masses --      2.1769                 5.3851                 5.4922
 Frc consts  --      3.0131                 8.4248                 8.7840
 IR Inten    --      8.1307                 0.6492                 3.9181
 RamAct Fr= 1--      0.0915                 7.9643                38.6954
  Dep-P Fr= 1--      0.7253                 0.7129                 0.6054
  Dep-U Fr= 1--      0.8408                 0.8324                 0.7542
 Alpha2 Fr= 1--      0.0000                 0.0051                 0.1032
 Beta2  Fr= 1--      0.0128                 1.1049                 4.8642
 AlphaG Fr= 1--     -0.0000                 0.0020                 0.0637
 Gamma2 Fr= 1--      0.2512                -0.3598                 1.0252
 Delta2 Fr= 1--     -0.1037                -0.0425                -0.0058
 Raman1 Fr= 1--       0.366                 31.857                154.782
 ROA1   Fr= 1--      20.798                -35.897                 98.230
 CID1   Fr= 1--      56.803                 -1.127                  0.635
 Raman2 Fr= 1--       0.154                 13.259                 58.370
 ROA2   Fr= 1--       6.859                 -8.295                 24.651
 CID2   Fr= 1--      44.563                 -0.626                  0.422
 Raman3 Fr= 1--       0.308                 26.518                116.741
 ROA3   Fr= 1--      20.798                -35.897                 98.230
 CID3   Fr= 1--      67.557                 -1.354                  0.841
 RC180  Fr= 1--       0.682                  0.665                  0.508
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.12  -0.02    -0.03  -0.21  -0.02    -0.26  -0.12  -0.02
     2   6    -0.09   0.08   0.01    -0.14   0.17   0.02     0.29  -0.04   0.00
     3   6     0.13   0.03   0.01     0.06  -0.29  -0.03    -0.21  -0.04  -0.01
     4   6    -0.05  -0.11  -0.01     0.05   0.19   0.02     0.28   0.13   0.02
     5   6    -0.13   0.09   0.01     0.11  -0.19  -0.02    -0.28   0.02  -0.01
     6   6     0.10   0.02   0.01    -0.05   0.35   0.04     0.13   0.04   0.01
     7   6    -0.02  -0.01  -0.00    -0.02   0.04   0.01     0.02   0.01   0.00
     8   7    -0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00  -0.01   0.01
     9   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.01
    10   1     0.01  -0.02   0.01    -0.01   0.07  -0.01    -0.02   0.08  -0.01
    11   1    -0.06  -0.00   0.00     0.25  -0.01   0.01     0.03   0.00  -0.01
    12   1     0.04   0.05   0.02    -0.01  -0.00   0.01    -0.02  -0.00   0.00
    13   1    -0.00  -0.01  -0.06     0.00  -0.02  -0.00     0.00   0.01   0.03
    14   1     0.04  -0.02   0.04     0.02   0.00  -0.02    -0.02  -0.00   0.00
    15   1     0.40   0.22   0.04    -0.28  -0.06  -0.02    -0.29  -0.31  -0.04
    16   1     0.47  -0.14  -0.00    -0.24  -0.07  -0.01     0.27  -0.20  -0.01
    17   1     0.13  -0.00   0.00     0.07  -0.47  -0.05     0.16  -0.01   0.01
    18   1     0.39   0.24   0.04     0.24  -0.02   0.00     0.22   0.26   0.04
    19   1     0.43  -0.11  -0.00     0.32  -0.00   0.01    -0.31   0.21   0.02
    20   1    -0.01  -0.00   0.02     0.03   0.01  -0.05     0.02   0.02  -0.07
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1659.7761              3023.8511              3033.0129
 Red. masses --      1.0940                 1.0776                 1.0434
 Frc consts  --      1.7757                 5.8056                 5.6555
 IR Inten    --     26.8895                12.2365                26.0649
 RamAct Fr= 1--      3.1207               136.8790                88.4080
  Dep-P Fr= 1--      0.7475                 0.0911                 0.0586
  Dep-U Fr= 1--      0.8555                 0.1669                 0.1107
 Alpha2 Fr= 1--      0.0001                 2.4494                 1.7108
 Beta2  Fr= 1--      0.4450                 3.8078                 1.6319
 AlphaG Fr= 1--      0.0039                 0.5704                -0.2393
 Gamma2 Fr= 1--      0.5216                 1.5878                 0.5885
 Delta2 Fr= 1--      0.7750                 0.0305                -0.3504
 Raman1 Fr= 1--      12.483                547.516                353.632
 ROA1   Fr= 1--      74.872                153.406                 45.282
 CID1   Fr= 1--       5.998                  0.280                  0.128
 Raman2 Fr= 1--       5.340                 45.693                 19.582
 ROA2   Fr= 1--       6.317                 37.864                 16.927
 CID2   Fr= 1--       1.183                  0.829                  0.864
 Raman3 Fr= 1--      10.679                 91.386                 39.165
 ROA3   Fr= 1--      74.872                153.406                 45.282
 CID3   Fr= 1--       7.011                  1.679                  1.156
 RC180  Fr= 1--       0.711                 -0.666                 -0.779
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6    -0.03  -0.01   0.00    -0.01  -0.07  -0.02    -0.01  -0.03  -0.01
     8   7     0.01  -0.05   0.05     0.00   0.00   0.00     0.00   0.00   0.00
     9   6     0.00  -0.00  -0.01    -0.00   0.02   0.01     0.02  -0.02  -0.04
    10   1    -0.08   0.69  -0.09     0.00  -0.00   0.00     0.00   0.00   0.00
    11   1     0.05  -0.03   0.03     0.13   0.86   0.22     0.06   0.38   0.10
    12   1    -0.00   0.04   0.03    -0.05   0.07  -0.08     0.19  -0.27   0.31
    13   1     0.01  -0.01  -0.02     0.12   0.03   0.01    -0.47  -0.10  -0.03
    14   1     0.01  -0.02   0.04    -0.05  -0.39  -0.11     0.08   0.61   0.17
    15   1     0.02   0.01  -0.00    -0.01   0.01   0.00     0.01  -0.01  -0.00
    16   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    17   1    -0.00   0.01   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.01  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   1     0.00  -0.00  -0.00    -0.01  -0.02  -0.00    -0.01  -0.01  -0.00
    20   1     0.14   0.16  -0.67    -0.00  -0.02  -0.01    -0.00  -0.01  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3094.8401              3115.2295              3156.3850
 Red. masses --      1.0978                 1.1031                 1.0863
 Frc consts  --      6.1952                 6.3076                 6.3766
 IR Inten    --     30.6352                23.2187                 9.1774
 RamAct Fr= 1--     73.9710                88.8151                29.0800
  Dep-P Fr= 1--      0.3194                 0.6813                 0.2172
  Dep-U Fr= 1--      0.4841                 0.8105                 0.3569
 Alpha2 Fr= 1--      0.7154                 0.1075                 0.3772
 Beta2  Fr= 1--      5.9686                11.9969                 1.7297
 AlphaG Fr= 1--     -0.0602                 0.0345                -0.0135
 Gamma2 Fr= 1--     -1.9793                 2.1058                -0.3390
 Delta2 Fr= 1--     -6.4288                 6.4664                -0.1084
 Raman1 Fr= 1--     295.884                355.260                116.320
 ROA1   Fr= 1--    -395.730                409.085                -36.009
 CID1   Fr= 1--      -1.337                  1.152                 -0.310
 Raman2 Fr= 1--      71.623                143.962                 20.756
 ROA2   Fr= 1--       3.928                 -1.192                 -7.268
 CID2   Fr= 1--       0.055                 -0.008                 -0.350
 Raman3 Fr= 1--     143.246                287.925                 41.513
 ROA3   Fr= 1--    -395.730                409.085                -36.009
 CID3   Fr= 1--      -2.763                  1.421                 -0.867
 RC180  Fr= 1--      -0.032                  0.621                 -0.286
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.02   0.03   0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.02  -0.06  -0.01
     3   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.02   0.02   0.00
     5   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.01  -0.02  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.00   0.00
     7   6    -0.00  -0.01  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     9   6    -0.03  -0.08   0.01    -0.08   0.02  -0.04    -0.00   0.00  -0.00
    10   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    11   1     0.02   0.15   0.04     0.00   0.00   0.00     0.01   0.02   0.01
    12   1    -0.23   0.29  -0.37     0.30  -0.42   0.50     0.00  -0.00   0.00
    13   1     0.52   0.09   0.03     0.67   0.15   0.03     0.00   0.00  -0.00
    14   1     0.07   0.61   0.18    -0.02   0.01  -0.01    -0.00  -0.00  -0.00
    15   1     0.02  -0.02  -0.00    -0.01   0.01   0.00     0.22  -0.28  -0.02
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.09   0.24   0.03
    17   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.20  -0.03  -0.01
    18   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.24  -0.31  -0.03
    19   1    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00     0.28   0.72   0.09
    20   1    -0.00  -0.00  -0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3158.9430              3172.4675              3180.9528
 Red. masses --      1.0866                 1.0889                 1.0931
 Frc consts  --      6.3883                 6.4568                 6.5166
 IR Inten    --      5.8521                 3.1966                31.6049
 RamAct Fr= 1--     73.4497               125.1562                42.6669
  Dep-P Fr= 1--      0.7470                 0.4521                 0.7499
  Dep-U Fr= 1--      0.8552                 0.6227                 0.8571
 Alpha2 Fr= 1--      0.0038                 0.7607                 0.0000
 Beta2  Fr= 1--     10.4687                12.9890                 6.0950
 AlphaG Fr= 1--     -0.0010                -0.0114                -0.0000
 Gamma2 Fr= 1--     -0.5978                -0.8284                 0.0784
 Delta2 Fr= 1--     -1.2394                -0.9359                 0.6220
 Raman1 Fr= 1--     293.799                500.625                170.668
 ROA1   Fr= 1--     -97.046               -109.478                 27.434
 CID1   Fr= 1--      -0.330                 -0.219                  0.161
 Raman2 Fr= 1--     125.624                155.868                 73.140
 ROA2   Fr= 1--      -4.432                -12.396                 -3.093
 CID2   Fr= 1--      -0.035                 -0.080                 -0.042
 Raman3 Fr= 1--     251.248                311.736                146.279
 ROA3   Fr= 1--     -97.046               -109.478                 27.434
 CID3   Fr= 1--      -0.386                 -0.351                  0.188
 RC180  Fr= 1--       0.710                  0.245                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00     0.02  -0.03  -0.00     0.04  -0.04  -0.00
     2   6    -0.01  -0.04  -0.00    -0.01  -0.03  -0.00    -0.01  -0.02  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.04  -0.05  -0.00    -0.02   0.03   0.00     0.02  -0.02  -0.00
     5   6     0.01   0.03   0.00     0.01   0.03   0.00    -0.02  -0.05  -0.01
     6   6    -0.01  -0.00  -0.00    -0.05  -0.01  -0.00    -0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     9   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   1     0.00   0.01   0.00     0.00   0.01   0.00     0.00   0.00   0.00
    12   1    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    14   1     0.00   0.02   0.01    -0.00  -0.01  -0.00     0.00   0.01   0.00
    15   1    -0.48   0.62   0.05     0.23  -0.30  -0.03    -0.18   0.23   0.02
    16   1    -0.14  -0.36  -0.05    -0.14  -0.35  -0.05     0.24   0.60   0.08
    17   1     0.09   0.01   0.00     0.64   0.09   0.03     0.02  -0.00   0.00
    18   1     0.08  -0.10  -0.01    -0.26   0.33   0.03    -0.40   0.51   0.05
    19   1     0.16   0.41   0.05     0.12   0.30   0.04     0.09   0.22   0.03
    20   1    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3193.8316              3478.1368              3555.2504
 Red. masses --      1.0973                 1.0485                 1.0929
 Frc consts  --      6.5947                 7.4732                 8.1390
 IR Inten    --     16.1824                 1.4087                 0.5000
 RamAct Fr= 1--    298.0141                88.4982                35.6040
  Dep-P Fr= 1--      0.0959                 0.0624                 0.7068
  Dep-U Fr= 1--      0.1750                 0.1176                 0.8282
 Alpha2 Fr= 1--      5.2707                 1.6969                 0.0267
 Beta2  Fr= 1--      8.6902                 1.7339                 4.9148
 AlphaG Fr= 1--     -0.0631                -0.1514                -0.0883
 Gamma2 Fr= 1--     -0.2912                -0.3377                 0.1016
 Delta2 Fr= 1--     -0.2410                -1.8495                 1.5745
 Raman1 Fr= 1--    1192.057                353.993                142.416
 ROA1   Fr= 1--     -35.667                -91.605                 60.137
 CID1   Fr= 1--      -0.030                 -0.259                  0.422
 Raman2 Fr= 1--     104.282                 20.807                 58.977
 ROA2   Fr= 1--      -5.061                  6.690                -10.158
 CID2   Fr= 1--      -0.049                  0.322                 -0.172
 Raman3 Fr= 1--     208.564                 41.614                117.954
 ROA3   Fr= 1--     -35.667                -91.605                 60.137
 CID3   Fr= 1--      -0.171                 -2.201                  0.510
 RC180  Fr= 1--      -0.650                 -0.765                  0.656
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.01   0.01   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.01  -0.04  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.06  -0.01  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   7    -0.00   0.00  -0.00    -0.02  -0.04   0.03     0.02  -0.05  -0.06
     9   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.00   0.00  -0.00     0.29  -0.08  -0.60    -0.34   0.05   0.65
    11   1    -0.00  -0.00  -0.00     0.00   0.01   0.01     0.00   0.01   0.00
    12   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    15   1    -0.09   0.11   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1     0.16   0.42   0.05    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   1     0.72   0.10   0.03    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.29  -0.38  -0.04    -0.00   0.00   0.00     0.00  -0.00  -0.00
    19   1    -0.05  -0.12  -0.02     0.00   0.00  -0.00     0.00   0.00   0.00
    20   1     0.00  -0.00  -0.00    -0.03   0.70   0.20     0.00   0.65   0.16

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   121.08915 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   525.114091659.442701822.33125
           X            0.99994  -0.00194  -0.01109
           Y            0.00196   1.00000   0.00193
           Z            0.01108  -0.00195   0.99994
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16494     0.05219     0.04753
 Rotational constants (GHZ):           3.43686     1.08756     0.99035
 Zero-point vibrational energy     455728.5 (Joules/Mol)
                                  108.92173 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     35.61   184.43   305.35   358.58   381.45
          (Kelvin)            453.92   486.16   594.08   703.24   792.86
                              860.89   918.86  1024.72  1099.29  1120.51
                             1226.37  1254.38  1318.68  1334.28  1377.80
                             1401.13  1453.95  1473.23  1497.82  1520.54
                             1592.72  1639.28  1704.17  1734.00  1746.34
                             1823.14  1883.48  1948.39  1984.68  2015.00
                             2029.28  2145.07  2146.57  2152.96  2205.23
                             2344.51  2370.51  2388.05  4350.65  4363.83
                             4452.78  4482.12  4541.33  4545.01  4564.47
                             4576.68  4595.21  5004.26  5115.21
 
 Zero-point correction=                           0.173578 (Hartree/Particle)
 Thermal correction to Energy=                    0.182170
 Thermal correction to Enthalpy=                  0.183114
 Thermal correction to Gibbs Free Energy=         0.139606
 Sum of electronic and zero-point Energies=           -366.227424
 Sum of electronic and thermal Energies=              -366.218832
 Sum of electronic and thermal Enthalpies=            -366.217887
 Sum of electronic and thermal Free Energies=         -366.261396
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  114.313             33.057             91.571
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.288
 Rotational               0.889              2.981             28.853
 Vibrational            112.536             27.096             22.430
 Vibration     1          0.593              1.985              6.211
 Vibration     2          0.611              1.925              2.973
 Vibration     3          0.643              1.822              2.024
 Vibration     4          0.662              1.764              1.736
 Vibration     5          0.671              1.737              1.628
 Vibration     6          0.703              1.644              1.333
 Vibration     7          0.718              1.600              1.222
 Vibration     8          0.777              1.442              0.916
 Vibration     9          0.845              1.275              0.687
 Vibration    10          0.906              1.137              0.542
 Vibration    11          0.956              1.035              0.453
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.610700D-64        -64.214172       -147.858596
 Total V=0       0.422685D+16         15.626017         35.980233
 Vib (Bot)       0.258493D-77        -77.587551       -178.651939
 Vib (Bot)    1  0.836664D+01          0.922551          2.124253
 Vib (Bot)    2  0.159113D+01          0.201706          0.464446
 Vib (Bot)    3  0.935028D+00         -0.029175         -0.067179
 Vib (Bot)    4  0.783396D+00         -0.106018         -0.244116
 Vib (Bot)    5  0.730761D+00         -0.136225         -0.313669
 Vib (Bot)    6  0.597432D+00         -0.223712         -0.515115
 Vib (Bot)    7  0.550255D+00         -0.259436         -0.597374
 Vib (Bot)    8  0.427545D+00         -0.369019         -0.849697
 Vib (Bot)    9  0.339588D+00         -0.469048         -1.080023
 Vib (Bot)   10  0.284486D+00         -0.545938         -1.257070
 Vib (Bot)   11  0.249975D+00         -0.602103         -1.386393
 Vib (V=0)       0.178911D+03          2.252638          5.186890
 Vib (V=0)    1  0.888157D+01          0.948490          2.183978
 Vib (V=0)    2  0.216784D+01          0.336028          0.773733
 Vib (V=0)    3  0.156032D+01          0.193213          0.444891
 Vib (V=0)    4  0.142936D+01          0.155142          0.357227
 Vib (V=0)    5  0.138544D+01          0.141589          0.326021
 Vib (V=0)    6  0.127905D+01          0.106889          0.246121
 Vib (V=0)    7  0.124349D+01          0.094643          0.217924
 Vib (V=0)    8  0.115787D+01          0.063660          0.146583
 Vib (V=0)    9  0.110442D+01          0.043133          0.099318
 Vib (V=0)   10  0.107527D+01          0.031516          0.072569
 Vib (V=0)   11  0.105901D+01          0.024898          0.057331
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523735D+08          7.719112         17.773912
 Rotational      0.451094D+06          5.654267         13.019431
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3       333333333                                               111 1111 1111 11111111111                                    
     5  4       111111000                                               666 5444 4433 32221110000999988 77 7  65 5 4  4 33 222  1    
     5  7       987551932                                               643 3999 1075 06108305421752175 76 1  39 5 8  1 31 641  2   2
     5  8       412965534                                               080 3621 0094 97454977141487722 94 2  98 1 9  3 85 592  8   5
 
     X  X       XXXXXXXXX                                               XXX XXXX XXXX XXX XXXXXXXXXXXXX XX X   X X X  X XX XXX  X   X
                XX   XXX                                                X                     X      X  XX X     X          X        
                 X   XXX                                                X                     X      X   X X                X        
                                                                                                     X     X                         
                                                                                                     X     X                         
                                                                                                     X     X                         
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002670    0.000007893    0.000001968
      2        6          -0.000004194   -0.000000349    0.000000855
      3        6          -0.000008447    0.000002333   -0.000002740
      4        6           0.000006527    0.000002939    0.000001733
      5        6          -0.000005445   -0.000001554    0.000000674
      6        6          -0.000003923   -0.000007472   -0.000002398
      7        6           0.000031443   -0.000013167    0.000026803
      8        7          -0.000017494    0.000008271   -0.000012223
      9        6           0.000002935   -0.000011877   -0.000012023
     10        1           0.000003000   -0.000000962   -0.000002368
     11        1          -0.000003885    0.000000095   -0.000008171
     12        1          -0.000003120    0.000002496    0.000000140
     13        1           0.000002069    0.000005182    0.000002873
     14        1          -0.000003742    0.000004462    0.000000181
     15        1           0.000000237   -0.000002108   -0.000000437
     16        1          -0.000000115   -0.000002175    0.000000825
     17        1          -0.000001199    0.000000798    0.000001933
     18        1          -0.000001813    0.000000163   -0.000000529
     19        1           0.000001794    0.000001782   -0.000000338
     20        1           0.000002700    0.000003251    0.000003243
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000031443 RMS     0.000007393
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.132724D+03 -0.294144D+00  0.727062D+00
      2  -0.294144D+00  0.106101D+03  0.259329D+01
      3   0.727062D+00  0.259329D+01  0.759198D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.370755D+00  0.294957D+01  0.174318D+01
      2   0.106615D+00  0.785082D+01 -0.178041D+02
      3  -0.543689D+01 -0.354342D+02 -0.795742D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.712075D+02  0.741055D+00  0.803152D+00
      2  -0.144968D+02  0.281105D+00 -0.607979D+01
      3  -0.567107D+02 -0.102216D+01  0.527664D+01
      4   0.220269D+01  0.738465D+02  0.179202D+02
      5   0.136944D+02  0.181568D+02 -0.440992D+02
      6   0.740831D+01  0.777732D+01 -0.571280D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.262030D+01 -0.890080D+00 -0.257586D+00 -0.547169D+01 -0.104446D+01
      2  -0.890080D+00  0.313975D+01  0.319904D+00 -0.104446D+01 -0.640527D+00
      3  -0.257586D+00  0.319904D+00  0.134139D+01 -0.515912D+00  0.530979D+00
                 6             7             8             9            10 
      1  -0.515912D+00 -0.129030D+01 -0.351428D+00  0.281179D+01  0.595567D+01
      2   0.530979D+00 -0.351428D+00  0.901572D+00 -0.338789D+01  0.244599D+01
      3  -0.154999D+01  0.281179D+01 -0.338789D+01 -0.815853D+00  0.667816D+00
                11            12            13            14            15 
      1   0.244599D+01  0.667816D+00 -0.712689D+01 -0.285752D+00 -0.563900D-01
      2  -0.234747D+01 -0.118374D-01 -0.285752D+00 -0.152775D+01  0.595682D+00
      3  -0.118374D-01 -0.725621D+00 -0.563900D-01  0.595682D+00 -0.201925D+01
                16            17            18            19            20 
      1  -0.638306D+00  0.585138D+00 -0.120027D+01 -0.180825D+02 -0.123549D+01
      2   0.585138D+00  0.786716D+00 -0.415316D+01 -0.123549D+01 -0.228330D+01
      3  -0.120027D+01 -0.415316D+01 -0.147688D+01 -0.213541D+00  0.215216D-01
                21            22            23            24            25 
      1  -0.213541D+00 -0.252537D+01  0.192065D+01  0.809972D+00 -0.231368D+00
      2   0.215216D-01  0.192065D+01 -0.581211D+00 -0.806310D-01  0.558052D+00
      3  -0.213808D+01  0.809972D+00 -0.806310D-01  0.190915D+00 -0.414047D+01
                26            27            28            29            30 
      1   0.558052D+00 -0.414047D+01  0.432388D+01 -0.707062D+00  0.449961D+00
      2  -0.320255D+00 -0.350347D+00 -0.707062D+00 -0.332941D+01 -0.335952D+00
      3  -0.350347D+00  0.769493D-01  0.449961D+00 -0.335952D+00 -0.118670D+01
                31            32            33            34            35 
      1   0.832851D+01 -0.273788D+00  0.339244D+00  0.141335D+01  0.371773D-01
      2  -0.273788D+00  0.807495D+00 -0.488846D+00  0.371773D-01 -0.819774D+00
      3   0.339244D+00 -0.488846D+00  0.163699D+01 -0.176063D+01  0.332298D+01
                36            37            38            39            40 
      1  -0.176063D+01 -0.483051D+01 -0.462291D+00 -0.425710D+00  0.552486D+01
      2   0.332298D+01 -0.462291D+00  0.192849D+01 -0.286617D-01  0.440139D-01
      3   0.677849D+00 -0.425710D+00 -0.286617D-01  0.724888D+00 -0.430648D-01
                41            42            43            44            45 
      1   0.440139D-01 -0.430648D-01  0.254762D+00 -0.358210D+00  0.194477D+01
      2   0.133414D+01 -0.569677D+00 -0.358210D+00 -0.734493D+00  0.398602D+01
      3  -0.569677D+00  0.181732D+01  0.194477D+01  0.398602D+01  0.134895D+01
                46            47            48            49            50 
      1   0.655916D+01  0.252414D+00  0.267064D-01  0.320355D+00 -0.385372D+00
      2   0.252414D+00  0.316079D+01  0.928761D-01 -0.385372D+00 -0.134561D+00
      3   0.267064D-01  0.928761D-01  0.231244D+01 -0.824882D+00 -0.158233D+00
                51            52            53            54            55 
      1  -0.824882D+00 -0.110013D+00 -0.694289D+00  0.562113D+01  0.351699D+01
      2  -0.158233D+00 -0.694289D+00 -0.469235D-01  0.647605D+00 -0.138256D+00
      3   0.244334D+00  0.562113D+01  0.647605D+00  0.488579D+00 -0.984805D+00
                56            57            58            59            60 
      1  -0.138256D+00 -0.984805D+00 -0.334508D+01  0.106653D+01 -0.109821D+01
      2   0.170804D-01 -0.755237D+00  0.106653D+01  0.611877D+01  0.203177D+01
      3  -0.755237D+00  0.302660D+01 -0.109821D+01  0.203177D+01 -0.107499D+01
                61            62            63            64            65 
      1  -0.871683D+00 -0.813584D+00  0.579721D+01 -0.372596D+01  0.107462D+01
      2  -0.813584D+00  0.139694D+01 -0.238451D+00  0.107462D+01 -0.109878D+00
      3   0.579721D+01 -0.238451D+00 -0.179860D+01 -0.982829D+00  0.941175D+00
                66            67            68            69            70 
      1  -0.982829D+00  0.314004D+01 -0.950544D+00  0.520510D+00 -0.222501D+01
      2   0.941175D+00 -0.950544D+00 -0.469271D+01 -0.120516D+01  0.596692D+00
      3  -0.463246D+01  0.520510D+00 -0.120516D+01  0.306252D+00 -0.470605D+01
                71            72            73            74            75 
      1   0.596692D+00 -0.470605D+01  0.807374D+01  0.201344D+01 -0.495112D+00
      2  -0.575324D+00  0.204948D+00  0.201344D+01 -0.955056D+00  0.733828D+00
      3   0.204948D+00  0.239804D+01 -0.495112D+00  0.733828D+00 -0.346994D+01
                76            77            78            79            80 
      1   0.322011D+01 -0.688636D+00  0.552217D+00  0.390232D+01  0.856989D+00
      2  -0.688636D+00 -0.363801D+01 -0.321045D+01  0.856989D+00 -0.268082D+01
      3   0.552217D+00 -0.321045D+01  0.189992D+01 -0.461730D+01  0.126708D+01
                81            82            83            84            85 
      1  -0.461730D+01  0.169071D+00 -0.134527D+00 -0.702786D+00 -0.714211D+00
      2   0.126708D+01 -0.134527D+00  0.280513D+00 -0.236993D+00 -0.288634D-01
      3   0.871559D+00 -0.702786D+00 -0.236993D+00  0.291862D+01  0.542450D-01
                86            87            88            89            90 
      1  -0.288634D-01  0.542450D-01 -0.147203D+01  0.762309D-01  0.902166D+00
      2   0.130378D+00 -0.829293D+00  0.762309D-01 -0.104863D+01  0.543752D+00
      3  -0.829293D+00 -0.414652D+00  0.902166D+00  0.543752D+00 -0.783339D+01
                91            92            93            94            95 
      1  -0.717536D-01 -0.126745D+01 -0.258783D+00 -0.222932D+01 -0.158909D+01
      2  -0.126745D+01 -0.995567D+00 -0.161621D+00 -0.158909D+01 -0.698503D+01
      3  -0.258783D+00 -0.161621D+00 -0.703197D+00 -0.164626D+00 -0.122350D+01
                96            97            98            99           100 
      1  -0.164626D+00 -0.219396D+00 -0.138104D+00 -0.982902D+00  0.340921D+00
      2  -0.122350D+01 -0.138104D+00 -0.133245D+01 -0.115708D+01 -0.785295D+00
      3  -0.157614D+01 -0.982902D+00 -0.115708D+01 -0.846528D+00  0.791721D+00
               101           102           103           104           105 
      1  -0.785295D+00  0.791721D+00 -0.131997D+01  0.214608D+00 -0.767020D-01
      2   0.877339D+00 -0.785147D+00  0.214608D+00 -0.190767D+01  0.220263D+01
      3  -0.785147D+00  0.226517D+01 -0.767020D-01  0.220263D+01 -0.292326D+01
               106           107           108           109           110 
      1   0.737830D+00 -0.267496D+00  0.512527D+00 -0.129616D+02 -0.156948D+01
      2  -0.267496D+00  0.195177D+01 -0.212198D+01 -0.156948D+01 -0.119626D+01
      3   0.512527D+00 -0.212198D+01  0.513211D+01  0.203946D+01  0.205071D+00
               111           112           113           114           115 
      1   0.203946D+01 -0.224400D+01 -0.144891D+01  0.416239D+00 -0.575613D+00
      2   0.205071D+00 -0.144891D+01 -0.419321D+00  0.528933D+00 -0.379530D-01
      3  -0.164404D+01  0.416239D+00  0.528933D+00 -0.640560D+00 -0.625713D+00
               116           117           118           119           120 
      1  -0.379530D-01 -0.625713D+00 -0.450062D+00  0.608576D+00  0.211976D+00
      2   0.861834D-01 -0.311090D+00  0.608576D+00  0.263567D+00  0.178699D-02
      3  -0.311090D+00  0.129941D-02  0.211976D+00  0.178699D-02  0.710447D+00
               121           122           123           124           125 
      1   0.184057D+01 -0.548768D+00 -0.794823D+00  0.256477D+00 -0.262021D+00
      2  -0.548768D+00  0.535485D+01  0.214341D+01 -0.262021D+00  0.149751D+01
      3  -0.794823D+00  0.214341D+01  0.246540D+01  0.104312D+00  0.110580D+01
               126           127           128           129           130 
      1   0.104312D+00 -0.343094D+01  0.227857D+01  0.117153D+00  0.274445D+01
      2   0.110580D+01  0.227857D+01 -0.245616D+01 -0.149968D+00 -0.284522D+01
      3   0.157425D+01  0.117153D+00 -0.149968D+00 -0.402890D+00 -0.233347D+00
               131           132           133           134           135 
      1  -0.284522D+01 -0.233347D+00  0.180613D+00 -0.275960D+00  0.130770D+00
      2   0.579148D+01  0.446186D+00 -0.275960D+00  0.535997D+00  0.401487D-01
      3   0.446186D+00  0.793748D+00  0.130770D+00  0.401487D-01  0.830603D-01
               136           137           138           139           140 
      1   0.217988D+01  0.256802D+01  0.337145D+00  0.233232D+01  0.379202D+01
      2   0.256802D+01  0.278655D+01  0.343941D+00  0.379202D+01  0.950967D+01
      3   0.337145D+00  0.343941D+00  0.385505D+00  0.475686D+00  0.107004D+01
               141           142           143           144           145 
      1   0.475686D+00  0.483840D+00  0.518804D+00  0.115015D+00  0.128750D+02
      2   0.107004D+01  0.518804D+00  0.122189D+01  0.201490D+00  0.140910D+01
      3   0.105349D+01  0.115015D+00  0.201490D+00  0.152592D+00  0.479554D+00
               146           147           148           149           150 
      1   0.140910D+01  0.479554D+00  0.141106D+01  0.173743D+01  0.236540D+00
      2   0.942100D+00  0.342183D-01  0.173743D+01  0.544467D+00  0.869366D-01
      3   0.342183D-01  0.987876D+00  0.236540D+00  0.869366D-01  0.152752D+00
               151           152           153           154           155 
      1   0.549731D+00  0.239034D+00 -0.504473D-01  0.499290D+01 -0.387198D+01
      2   0.239034D+00  0.645592D-01  0.206693D-01 -0.387198D+01  0.350390D+01
      3  -0.504473D-01  0.206693D-01  0.567330D-01 -0.324917D+00  0.247833D+00
               156           157           158           159           160 
      1  -0.324917D+00 -0.382590D+01  0.445194D+01  0.431775D+00 -0.326915D+00
      2   0.247833D+00  0.445194D+01 -0.659100D+01 -0.571047D+00  0.401159D+00
      3   0.616105D+00  0.431775D+00 -0.571047D+00 -0.846230D+00  0.132172D+00
               161           162           163           164           165 
      1   0.401159D+00  0.132172D+00 -0.151403D+01 -0.170809D+01 -0.243043D+00
      2  -0.696870D+00 -0.750619D-01 -0.170809D+01 -0.224950D+01 -0.296360D+00
      3  -0.750619D-01 -0.681612D-01 -0.243043D+00 -0.296360D+00 -0.252721D+00
               166           167           168           169           170 
      1  -0.167042D+01 -0.189897D+01 -0.277078D+00 -0.510553D-01 -0.355790D+00
      2  -0.189897D+01 -0.876008D+01 -0.994695D+00 -0.355790D+00 -0.116717D+01
      3  -0.277078D+00 -0.994695D+00 -0.100635D+01  0.130033D+00 -0.170202D+00
               171           172           173           174           175 
      1   0.130033D+00 -0.129953D+01  0.119263D+00 -0.232381D+00  0.161058D+01
      2  -0.170202D+00  0.119263D+00 -0.977458D+00 -0.180378D+00 -0.123883D+01
      3  -0.116692D+00 -0.232381D+00 -0.180378D+00 -0.133395D+00  0.248608D+00
               176           177           178           179           180 
      1  -0.123883D+01  0.248608D+00  0.232759D+00 -0.314440D+00 -0.118118D+00
      2   0.628663D+01 -0.305036D+00 -0.314440D+00  0.979578D+00  0.624750D+00
      3  -0.305036D+00  0.149029D+01 -0.118118D+00  0.624750D+00  0.941390D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.883131D+00 -0.415670D+00  0.173209D+01 -0.121746D+01 -0.414146D+00
      2  -0.141086D+00  0.784626D+00  0.244091D+01 -0.342836D+00  0.174454D+01
      3   0.680495D+01 -0.920498D+01 -0.421262D+00  0.847393D+01  0.207393D+01
                 6             7             8             9            10 
      1  -0.146456D+01  0.666421D+01  0.384579D+01  0.525069D+00  0.905934D+00
      2  -0.449739D+01 -0.313405D+01 -0.106544D+02 -0.202080D+01  0.844186D+00
      3  -0.595244D+00  0.719991D+00 -0.144155D+01  0.534906D+01 -0.973592D+01
                11            12            13            14            15 
      1   0.626743D+00 -0.124581D+01  0.323166D+00  0.438643D+00 -0.231368D+01
      2   0.890839D+00 -0.715526D+00  0.176641D+01 -0.311814D+00 -0.129901D+01
      3  -0.474575D+01 -0.143416D+01  0.439479D+01  0.672820D+01 -0.846536D-01
                16            17            18            19            20 
      1  -0.492084D+01  0.604961D+00 -0.326693D+00 -0.139496D+01 -0.910133D-01
      2  -0.129212D+02 -0.206077D+01 -0.128918D+01 -0.334139D+01 -0.410148D-01
      3  -0.583617D+00 -0.670304D+00  0.593686D+01  0.509764D+01  0.713664D+01
                21            22            23            24            25 
      1   0.141069D+00 -0.942212D+00 -0.187944D+01  0.793555D+00 -0.895495D+00
      2  -0.187324D+01 -0.939403D+00  0.675646D+00 -0.100467D+01 -0.165628D+02
      3   0.607068D+00  0.188144D+02  0.118231D+01 -0.684997D-02 -0.985008D+00
                26            27            28            29            30 
      1   0.101517D+02  0.157267D+01  0.140572D+00 -0.294200D+00  0.183470D+01
      2   0.119940D+00 -0.191078D+01  0.531941D+00  0.140286D+00 -0.970500D+00
      3  -0.243845D+00  0.946317D+00 -0.141223D+01  0.802813D+00  0.414456D+00
                31            32            33            34            35 
      1   0.310896D+00  0.535154D-01 -0.165183D+01  0.729268D+01  0.345613D+01
      2   0.179647D+01  0.234936D+00  0.142003D+01 -0.126142D+02  0.510618D+00
      3  -0.185259D+01 -0.704643D+01 -0.236699D+00 -0.107865D+01  0.601846D+00
                36            37            38            39            40 
      1   0.433745D+00 -0.325253D+00  0.735247D+00 -0.166104D+01  0.698419D+00
      2   0.427230D+00 -0.161460D+00  0.118593D+01  0.818723D+00  0.647958D+00
      3  -0.641657D+01  0.487930D+01 -0.146271D+02 -0.142973D+01  0.360427D+01
                41            42            43            44            45 
      1  -0.141858D-01 -0.242555D+01 -0.567030D+01  0.390391D+00 -0.665171D+00
      2  -0.151676D+01  0.408513D+01 -0.782966D+01  0.953950D+01  0.234961D+01
      3  -0.116624D+00  0.107405D+01  0.746845D+00  0.171793D+01 -0.471639D+01
                46            47            48            49            50 
      1   0.467349D+00 -0.315477D+00 -0.593698D+00 -0.183214D-01 -0.108363D+01
      2   0.453680D-02 -0.815944D-01  0.595508D+01 -0.284000D+01 -0.118159D+00
      3  -0.407672D+01 -0.602871D+01 -0.420956D-01  0.115423D+02 -0.376739D+01
                51            52            53            54            55 
      1   0.132732D+01 -0.200320D+01  0.115287D+02  0.152945D+01 -0.519630D+00
      2   0.106284D+01  0.823823D+01  0.270915D+01  0.105750D+01  0.564811D+01
      3   0.200162D-01  0.147663D+01  0.159363D+00 -0.169465D+01 -0.421024D+01
                56            57            58            59            60 
      1  -0.423262D+00  0.204539D+00  0.133248D+01  0.178093D+01 -0.274548D+01
      2   0.125945D+01 -0.284169D+01 -0.401566D+00 -0.513953D+01  0.229867D+01
      3   0.507417D+00 -0.886436D+00  0.111607D+02  0.126305D+02  0.606691D+01
                61            62            63            64            65 
      1   0.167730D+01  0.221205D+01 -0.141085D+01 -0.844339D-01  0.293448D+01
      2  -0.157890D+02  0.474061D+00  0.288164D+01 -0.250176D+01 -0.186185D+01
      3   0.415133D+00  0.618539D+01 -0.459061D+01  0.568867D+01 -0.956480D+01
                66            67            68            69            70 
      1   0.129919D+01 -0.462177D+00  0.796553D+01 -0.206022D+01 -0.618751D+00
      2   0.184561D+02  0.721576D+00  0.247291D+01 -0.146540D-01  0.754039D+01
      3   0.334387D+01 -0.171560D+01 -0.160536D+02 -0.353128D+01  0.149916D+01
                71            72            73            74            75 
      1   0.494428D+01 -0.300807D+01  0.279904D+01 -0.241432D+01  0.463074D+00
      2   0.832747D+00 -0.123451D+02 -0.114853D+02 -0.456130D+01  0.130567D+02
      3  -0.464668D+01 -0.477197D+00  0.554959D+01 -0.688186D+01  0.118795D+01
                76            77            78            79            80 
      1  -0.112448D+00 -0.662285D+01 -0.789548D+01 -0.103802D+01 -0.324949D+01
      2  -0.323069D+01  0.102494D+02 -0.579696D+01  0.831122D+01 -0.425789D+01
      3  -0.973503D+00 -0.118694D+02 -0.101564D+02 -0.630633D+00 -0.995476D+01
                81            82            83            84            85 
      1   0.417411D+01 -0.880015D-01 -0.161575D+01 -0.134755D+01 -0.762285D+00
      2   0.355927D+01  0.477452D+01  0.163041D+00 -0.830368D+01 -0.136417D+01
      3   0.588102D+01 -0.577597D+00  0.981085D+00 -0.579076D+00  0.141984D+01
                86            87            88            89            90 
      1  -0.171050D+00  0.882930D-01 -0.796570D+00  0.258251D+01  0.236713D+01
      2   0.171528D+01  0.986250D+00 -0.757150D+01 -0.149894D+01  0.217751D+02
      3   0.679249D+00 -0.129313D+01 -0.342652D+00 -0.165242D+01  0.297188D+01
                91            92            93            94            95 
      1  -0.149903D+00 -0.693384D-01 -0.690723D+00 -0.229771D+00  0.895573D-01
      2   0.322822D+00  0.164374D+00  0.197017D+01 -0.216441D-01  0.250572D+01
      3  -0.377389D+01 -0.242896D+01 -0.185430D+00  0.238885D+01 -0.133408D+02
                96            97            98            99           100 
      1  -0.330181D+01 -0.546463D+00  0.854654D+00 -0.858861D+00 -0.129938D+01
      2   0.303403D+01  0.303810D+00  0.170417D+01  0.153645D+01 -0.421812D+01
      3  -0.283312D+01  0.447180D+00 -0.278002D+01 -0.116645D+01 -0.289080D+01
               101           102           103           104           105 
      1   0.220865D+01 -0.350270D-01  0.101536D+01 -0.287583D+01  0.105539D+01
      2   0.307068D+01 -0.573288D+01  0.313087D+01 -0.607599D+01  0.738529D+01
      3   0.232743D+01 -0.210560D+01  0.298514D+01 -0.435712D+01  0.539056D+01
               106           107           108           109           110 
      1  -0.185166D+00  0.437310D+01 -0.160255D+01 -0.157071D+01 -0.231774D+01
      2  -0.523150D+01  0.597008D+01 -0.132117D+02  0.100432D+02  0.153060D+01
      3  -0.132163D+01  0.470723D+01 -0.566758D+01 -0.932710D+00 -0.611372D+01
               111           112           113           114           115 
      1  -0.690807D+00 -0.168914D+01 -0.871757D-01 -0.318796D+00 -0.480188D-01
      2   0.540563D+01  0.184273D+01 -0.296978D-02  0.174786D+01  0.650114D+00
      3   0.101480D+00 -0.236650D+01 -0.698206D+00  0.128344D+01  0.169160D+00
               116           117           118           119           120 
      1   0.799133D+00 -0.537838D+00  0.147258D+01  0.888902D+00 -0.328377D+00
      2   0.630727D+00  0.114465D+01 -0.991755D+00 -0.911232D+00 -0.136751D+01
      3   0.114175D+01 -0.621110D+00  0.264533D+01  0.108910D+01  0.927247D-01
               121           122           123           124           125 
      1   0.172333D+00  0.101056D+02  0.859498D+00 -0.333737D+00  0.389617D+01
      2  -0.142971D+01 -0.580447D+01 -0.535274D+01 -0.168902D+01 -0.234881D+01
      3   0.209920D+01  0.157725D+02  0.566073D+01 -0.508150D+00  0.398250D+01
               126           127           128           129           130 
      1   0.157974D+01  0.162298D+00 -0.551051D+00  0.232641D+01  0.956571D-02
      2  -0.379569D+01  0.118783D+01 -0.245270D+00  0.912582D+00 -0.603169D+00
      3   0.283024D+01 -0.995813D+01  0.401965D+01  0.119520D+00  0.746281D+01
               131           132           133           134           135 
      1   0.107888D+00 -0.309271D+01 -0.155406D+00  0.194027D+01 -0.231030D-01
      2   0.587291D+00 -0.137756D+01 -0.177128D+01  0.158014D+00 -0.265989D+00
      3  -0.554701D+01 -0.653248D+00 -0.374821D+00 -0.627089D+00  0.445061D-01
               136           137           138           139           140 
      1  -0.717281D-01  0.765680D-01 -0.160086D+01 -0.792223D-01  0.300042D+00
      2   0.584950D-01  0.232396D+00  0.147245D+01  0.218381D+00  0.146809D+01
      3  -0.710683D+00 -0.246515D+01 -0.180322D+00 -0.133405D+01 -0.137907D+02
               141           142           143           144           145 
      1  -0.443792D+01  0.706601D+00  0.179168D+01 -0.388783D+00 -0.311600D-01
      2   0.298197D+01 -0.596398D+00 -0.373021D+00  0.355607D+00  0.471212D+00
      3  -0.140806D+01 -0.141746D+00 -0.184832D+01 -0.260399D+00 -0.882339D+00
               146           147           148           149           150 
      1   0.181072D+00 -0.689573D+00  0.167279D-01  0.404408D-01 -0.405975D+00
      2  -0.334288D-01  0.620968D+01  0.805764D+00  0.192549D+00  0.880230D+00
      3  -0.531787D+01  0.475490D-01 -0.406223D+01 -0.176773D+01 -0.241851D+00
               151           152           153           154           155 
      1   0.510552D+00  0.442790D+00 -0.468705D-02  0.521853D-01 -0.279858D+00
      2  -0.290487D+01 -0.279371D+00  0.167989D+00 -0.124283D+00  0.889139D-01
      3  -0.707779D+00 -0.345295D+00  0.113428D+00  0.148456D+01 -0.463379D+01
               156           157           158           159           160 
      1   0.228631D+01  0.142872D+00  0.130058D+00 -0.327159D+01 -0.831078D+00
      2   0.295815D+01  0.523172D+00 -0.843395D+00 -0.337308D+01 -0.868388D+00
      3  -0.145210D+00 -0.347021D+01  0.110587D+02  0.793784D+00 -0.547032D+00
               161           162           163           164           165 
      1   0.144926D+01 -0.115343D+00  0.120754D+00  0.980030D-01 -0.147458D+01
      2   0.680214D+00 -0.196588D+00 -0.811843D+00 -0.625791D+00  0.209321D+00
      3   0.108339D+01 -0.149105D+00  0.594411D+01  0.382980D+01  0.551211D+00
               166           167           168           169           170 
      1  -0.301043D-01  0.398096D+00 -0.420247D+01  0.628842D+00  0.198844D+01
      2  -0.709647D+00 -0.125416D+01  0.388608D+00 -0.148700D+01 -0.130348D+00
      3   0.708448D+01  0.886545D+01  0.127305D+01  0.120535D+01  0.123963D+01
               171           172           173           174           175 
      1  -0.351940D+00  0.297585D+00  0.103801D+01  0.706501D-01  0.115976D+01
      2   0.749233D-01  0.251713D+00  0.147155D+00 -0.988285D-01  0.429513D+00
      3  -0.200012D+00  0.121216D+01 -0.173727D+01 -0.352280D+00  0.708092D+00
               176           177           178           179           180 
      1  -0.955883D+01 -0.249763D+01  0.417796D+00 -0.946425D+00 -0.159225D+01
      2  -0.779113D+00 -0.355485D+01 -0.436972D+00 -0.158138D+01 -0.652542D+00
      3   0.192198D+02 -0.163551D+00  0.542256D+00  0.339125D+01  0.188677D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.352746D+01  0.238278D+02  0.252563D+01 -0.287943D+02  0.574077D+01
      2  -0.427824D+00 -0.163235D+02 -0.387887D+00  0.267961D+02 -0.977105D+01
      3   0.395529D+01 -0.750422D+01 -0.213774D+01  0.199821D+01  0.403028D+01
      4   0.136141D+02  0.271560D+01  0.616826D+00 -0.499200D+00  0.100729D+02
      5   0.453429D+00  0.603205D+00  0.472966D+01 -0.335338D+01  0.433262D+01
      6  -0.174902D+00 -0.135752D+01 -0.539312D+01  0.371039D+01 -0.352986D+01
                 6             7             8             9            10 
      1   0.211542D+00 -0.387962D+01  0.201313D+01  0.216998D+01  0.143958D+02
      2  -0.467515D+00  0.519604D+01 -0.406452D+01 -0.804775D+01 -0.943615D+01
      3   0.255973D+00 -0.131642D+01  0.205139D+01  0.587777D+01 -0.495961D+01
      4   0.436262D+01 -0.168415D+01  0.473892D+01 -0.170790D+02 -0.460784D+01
      5  -0.987423D+01  0.200046D+02 -0.170086D+02 -0.438548D+01 -0.471068D+00
      6   0.325241D+01 -0.869337D+01  0.122743D+02 -0.490012D+00 -0.186493D+00
                11            12            13            14            15 
      1  -0.105597D+02 -0.395036D+00 -0.873646D+00  0.966051D+01  0.268810D+01
      2   0.857701D+01  0.121813D+00 -0.934426D+01 -0.156334D+02 -0.418284D+01
      3   0.198274D+01  0.273223D+00  0.102179D+02  0.597289D+01  0.149474D+01
      4  -0.170132D+02 -0.161364D+01  0.984325D+01 -0.144724D+02 -0.956911D+00
      5  -0.150654D+01 -0.296663D+01  0.430641D+00 -0.123631D+01 -0.595600D+00
      6  -0.159544D+00  0.330616D+01 -0.293107D+01 -0.580694D+01  0.531136D+01
                16            17            18            19            20 
      1   0.577845D+00  0.223530D+01 -0.161135D+02 -0.179699D+02 -0.445176D+01
      2  -0.267123D+01 -0.629827D+01  0.374463D+01  0.315687D+01  0.319468D+01
      3   0.209339D+01  0.406297D+01  0.123688D+02  0.148131D+02  0.125707D+01
      4  -0.768969D+00 -0.137409D+01 -0.643996D+01 -0.295062D+01  0.208138D+01
      5   0.539595D+01 -0.507241D+01 -0.184903D+01 -0.144727D+01 -0.843143D+00
      6   0.219260D+01  0.170243D+02  0.280965D+01 -0.230028D+01  0.329704D+00
                21            22            23            24            25 
      1  -0.888540D+00  0.236279D+01 -0.123446D+02 -0.519929D+00 -0.219526D+01
      2  -0.440348D+00 -0.578439D+01  0.188089D+02  0.340268D+01 -0.666579D+00
      3   0.132889D+01  0.342160D+01 -0.646427D+01 -0.288275D+01  0.286184D+01
      4  -0.554453D+00 -0.137210D+02 -0.115323D+01  0.127727D+00 -0.256703D+01
      5   0.280343D+01 -0.308183D+01 -0.894812D-01 -0.139673D+01  0.574126D+01
      6   0.178108D+01 -0.229191D+01  0.317639D+01 -0.272406D+01  0.258693D+01
                26            27            28            29            30 
      1  -0.153855D+01 -0.657370D+01 -0.348656D+01  0.166879D+02  0.157712D+01
      2   0.285909D+01 -0.586200D+01  0.278075D+01 -0.126510D+02  0.630638D+00
      3  -0.132055D+01  0.124357D+02  0.705810D+00 -0.403692D+01 -0.220776D+01
      4   0.977846D+00  0.133865D+00  0.132692D+02 -0.116627D+02 -0.571523D+00
      5   0.106988D+00 -0.210062D+01 -0.916770D+00 -0.863157D+00 -0.255233D+01
      6   0.341576D+01 -0.135040D+01  0.129851D+01 -0.909415D+00 -0.514742D+01
                31            32            33            34            35 
      1  -0.615746D+01  0.514587D+01  0.203832D+01 -0.207380D+01  0.282680D+01
      2   0.168646D+02 -0.885159D+01 -0.146298D+01  0.496268D+01 -0.408445D+01
      3  -0.107071D+02  0.370572D+01 -0.575333D+00 -0.288888D+01  0.125766D+01
      4   0.589513D+01  0.147334D+02  0.175363D+01  0.169281D+01  0.708765D+00
      5   0.457038D+00  0.187868D+01 -0.824868D+00  0.109265D+01  0.950514D+00
      6   0.494350D+01 -0.291103D+01  0.420171D+01 -0.683249D+01  0.122158D+02
                36            37            38            39            40 
      1  -0.152208D+02  0.114797D+02 -0.216138D+02 -0.171478D+01  0.206789D+02
      2   0.297198D+01 -0.126556D+02  0.147223D+02  0.224956D+00 -0.179369D+02
      3   0.122488D+02  0.117595D+01  0.689149D+01  0.148982D+01 -0.274202D+01
      4   0.273255D+01 -0.173779D+02 -0.504218D+01 -0.172589D+01  0.114779D+02
      5  -0.693107D+00 -0.828830D+00 -0.142241D+01  0.237875D+00 -0.437149D+00
      6  -0.350804D+00 -0.281304D+01 -0.555231D-01  0.370762D+01 -0.239146D+01
                41            42            43            44            45 
      1   0.124749D+02  0.221389D+01  0.230494D+01  0.588102D+00 -0.564000D+01
      2  -0.176849D+02 -0.349059D+01 -0.421464D+01 -0.533772D+01 -0.226607D+01
      3   0.520993D+01  0.127669D+01  0.190970D+01  0.474962D+01  0.790607D+01
      4  -0.459672D+01 -0.328891D+01 -0.184376D+01 -0.550216D+01  0.155898D+02
      5  -0.314165D+01  0.861250D+01  0.123274D+02  0.159176D+02  0.511528D+01
      6  -0.584238D+01  0.532355D+01  0.740465D+01  0.161748D+02  0.221901D+01
                46            47            48            49            50 
      1  -0.104004D+02 -0.396155D+01 -0.216148D+01  0.109018D+02 -0.237083D+02
      2   0.835629D+01  0.297494D+01  0.110348D+01 -0.103135D+02  0.206864D+02
      3   0.204415D+01  0.986613D+00  0.105801D+01 -0.588248D+00  0.302189D+01
      4  -0.136853D+01  0.212094D+02  0.770470D+00 -0.202682D+02 -0.210072D+01
      5  -0.275859D+01  0.504798D+00  0.135446D+02 -0.572106D+01 -0.142334D+01
      6   0.994839D+00  0.182741D+00  0.169791D+01 -0.178441D+01  0.241767D+01
                51            52            53            54            55 
      1  -0.430126D+01 -0.169127D+01 -0.473602D+01  0.158026D+02  0.962794D+01
      2   0.468876D+01 -0.660133D+00  0.366015D+01 -0.182837D+02 -0.255403D+01
      3  -0.387498D+00  0.235140D+01  0.107587D+01  0.248104D+01 -0.707391D+01
      4  -0.159495D+01 -0.693287D+01 -0.853148D+00  0.444022D+01  0.505072D+01
      5   0.249393D+01  0.381936D+02  0.443130D+01  0.260607D+01  0.359431D+01
      6  -0.232080D+01  0.288798D+01  0.438344D+01 -0.194225D+01 -0.244005D+00
                56            57            58            59            60 
      1   0.337392D-01  0.628483D+00  0.122507D+02  0.751999D+01  0.392554D+01
      2  -0.546558D+00 -0.283898D+01 -0.131511D+02 -0.153662D+02 -0.690279D+01
      3   0.512819D+00  0.221049D+01  0.900485D+00  0.784625D+01  0.297725D+01
      4  -0.636463D+01  0.244026D+01 -0.589368D+01 -0.253502D+02 -0.976219D+01
      5   0.199999D+01 -0.159706D+02  0.859950D+01 -0.836845D+01  0.685496D+01
      6  -0.158071D+01  0.148376D+01 -0.328219D+01 -0.496451D+01 -0.303660D-01
                61            62            63            64            65 
      1  -0.188396D+01  0.239268D+01 -0.914409D+01  0.245045D+02  0.173363D+00
      2  -0.408083D+01 -0.304300D+01  0.114274D+02 -0.134445D+02 -0.135575D+01
      3   0.596480D+01  0.650319D+00 -0.228326D+01 -0.110600D+02  0.118238D+01
      4   0.619326D+01 -0.922322D+01  0.218199D+01 -0.698814D+01  0.118514D+02
      5  -0.355851D+02  0.134859D+01  0.714037D+01  0.106683D+02 -0.467163D+01
      6   0.142210D+00 -0.349669D+01  0.118816D+01 -0.389300D+01  0.490405D+01
                66            67            68            69            70 
      1  -0.672515D+01 -0.681021D+01  0.703365D+01 -0.184173D+01 -0.111412D+01
      2  -0.732265D+01  0.699322D+01 -0.112998D+02  0.408862D+00 -0.819739D+01
      3   0.140478D+02 -0.183008D+00  0.426614D+01  0.143287D+01  0.931151D+01
      4  -0.379078D+01  0.121515D+02  0.225090D+02  0.747688D+01 -0.430636D+01
      5   0.271730D+02 -0.589128D+01  0.888792D+01 -0.274039D+01  0.316360D+02
      6  -0.412279D+01  0.569510D+01  0.733561D+01  0.509200D+01 -0.348392D+01
                71            72            73            74            75 
      1   0.106011D+01  0.239655D+02 -0.494859D+02 -0.131578D+02  0.129679D+02
      2  -0.258821D+01 -0.817830D+01  0.231738D+02  0.452506D+01  0.268142D+00
      3   0.152810D+01 -0.157872D+02  0.263121D+02  0.863272D+01 -0.132360D+02
      4   0.766701D+01 -0.422038D+01 -0.166057D+02  0.538729D+01 -0.152377D+01
      5  -0.155122D+01  0.476649D+01  0.162087D+02  0.147754D+01  0.138341D+02
      6   0.603856D+01 -0.141339D+01  0.654502D+01 -0.516905D+01  0.317823D+01
                76            77            78            79            80 
      1  -0.145361D+02  0.122344D+02 -0.563856D+01  0.125148D+01 -0.783266D+01
      2   0.922847D+01 -0.208138D+01 -0.137412D+01  0.100172D+02  0.995725D-01
      3   0.530768D+01 -0.101530D+02  0.701268D+01 -0.112687D+02  0.773308D+01
      4   0.281737D+01  0.196074D+02  0.142054D+02 -0.332477D+01  0.131462D+02
      5   0.252264D+01  0.107997D+02 -0.515528D+01  0.256126D+02 -0.282122D+01
      6  -0.105112D+01 -0.939382D+01 -0.117956D+02  0.282824D+01 -0.918782D+01
                81            82            83            84            85 
      1   0.180420D+02  0.405443D+00 -0.960617D-01  0.120470D+02  0.256096D+01
      2  -0.139776D+02 -0.209147D+01  0.242762D+00  0.322831D+01 -0.136659D+01
      3  -0.406432D+01  0.168602D+01 -0.146700D+00 -0.152753D+02 -0.119437D+01
      4  -0.451838D+01  0.646846D+00 -0.164039D+01 -0.312676D+00  0.915050D+00
      5  -0.134216D+02  0.130446D+01  0.991799D+00 -0.598354D+01  0.956539D-01
      6   0.795242D+01  0.489512D+00 -0.181882D+01  0.146950D+01 -0.319809D+00
                86            87            88            89            90 
      1  -0.382274D+01 -0.598442D+00  0.917422D+01  0.183668D+01 -0.274036D+02
      2   0.819339D+00 -0.412125D+00 -0.130196D+01 -0.681293D+00 -0.106998D+02
      3   0.300341D+01  0.101057D+01 -0.787226D+01 -0.115539D+01  0.381034D+02
      4  -0.101644D+01  0.267413D+01 -0.197369D+01  0.304691D+01 -0.944925D-01
      5   0.189405D+01  0.895808D+00  0.180635D+01 -0.201026D+01  0.235241D+02
      6  -0.711437D+00  0.606387D+01  0.585428D+00  0.452670D+01 -0.477414D+01
                91            92            93            94            95 
      1   0.150965D+01  0.330189D+01  0.117190D+01  0.107380D+01 -0.131899D+02
      2   0.269136D+01 -0.104527D+00  0.345575D-01  0.335511D+01  0.258437D+02
      3  -0.420101D+01 -0.319737D+01 -0.120645D+01 -0.442891D+01 -0.126538D+02
      4   0.736081D+01  0.986659D+01  0.166564D+01  0.111123D+02  0.298847D+02
      5   0.184625D+01  0.166165D+01  0.494658D+01  0.141009D+01  0.473790D+01
      6   0.213019D+01  0.905056D+00  0.342819D+00  0.112677D+01  0.774831D+01
                96            97            98            99           100 
      1  -0.248847D+01  0.685016D+00 -0.265689D+01 -0.275183D+01 -0.234280D+01
      2   0.366538D+01  0.422463D+00  0.275100D+01  0.184374D+01 -0.332675D+00
      3  -0.117691D+01 -0.110748D+01 -0.941058D-01  0.908094D+00  0.267548D+01
      4   0.528431D+01  0.156267D+01  0.549144D+01  0.489119D+01  0.192170D+01
      5   0.674540D+01  0.585917D+01  0.451058D+01  0.316620D+01  0.397647D+00
      6   0.584270D+01  0.148746D+01  0.760186D+01  0.350990D+01 -0.354415D+01
               101           102           103           104           105 
      1   0.670570D+01 -0.104548D+02  0.680890D+01 -0.112741D+02  0.112587D+02
      2  -0.239900D+01 -0.489502D+00 -0.373765D+01  0.491027D+01  0.429305D+00
      3  -0.430669D+01  0.109443D+02 -0.307124D+01  0.636383D+01 -0.116880D+02
      4  -0.207464D+01  0.147674D+01  0.168054D+01  0.657429D+01 -0.869879D+01
      5  -0.305668D+00 -0.327061D+01 -0.407495D+01 -0.645210D+01  0.952033D+01
      6   0.483433D+01 -0.493006D+01  0.993779D+00 -0.103247D+02  0.127952D+02
               106           107           108           109           110 
      1  -0.607794D+01  0.967771D+01 -0.215746D+02  0.793934D+02  0.897641D+01
      2   0.105157D+01  0.486318D+00 -0.592140D+01 -0.421220D+02 -0.340900D+01
      3   0.502637D+01 -0.101640D+02  0.274960D+02 -0.372713D+02 -0.556741D+01
      4  -0.238635D+00 -0.804209D+01  0.802498D+01  0.156220D+02  0.121722D+02
      5   0.387439D+01  0.650403D+01 -0.154206D+02 -0.318628D+02 -0.382297D+01
      6  -0.146676D+01  0.112920D+02 -0.138269D+02 -0.494645D+01 -0.387141D+01
               111           112           113           114           115 
      1  -0.794748D+01  0.108060D+02  0.634752D+01 -0.412780D-01  0.306141D+01
      2   0.803377D+01 -0.444205D+01 -0.228647D+01  0.129369D+01  0.744509D+00
      3  -0.862862D-01 -0.636397D+01 -0.406105D+01 -0.125242D+01 -0.380592D+01
      4  -0.210228D+01  0.135897D+02  0.444426D+01 -0.304681D+01  0.391943D+00
      5   0.155625D+02 -0.561750D+01 -0.430053D+01  0.383731D+01  0.769660D+01
      6   0.158197D+01 -0.349048D+01 -0.867944D+00  0.298357D+01  0.859430D+00
               116           117           118           119           120 
      1   0.981593D+00  0.396100D+01  0.376093D+01 -0.277105D+01 -0.389794D+01
      2   0.507964D+00 -0.303260D+01 -0.117105D+01  0.189747D+01  0.277134D+00
      3  -0.148956D+01 -0.928393D+00 -0.258988D+01  0.873578D+00  0.362081D+01
      4  -0.747911D+00  0.225223D+01 -0.188302D+01  0.106965D+01  0.672653D+00
      5   0.178428D+01 -0.160763D+01 -0.218378D+01  0.179208D+01 -0.772567D+00
      6   0.188011D+01 -0.103825D+01  0.189514D+01  0.103763D+01  0.142820D+00
               121           122           123           124           125 
      1  -0.597422D+01 -0.904572D+01 -0.422903D+01 -0.153684D+01 -0.316368D+01
      2   0.384130D+01  0.816108D+01 -0.199299D+01  0.857006D+00 -0.827058D+00
      3   0.213292D+01  0.884634D+00  0.622202D+01  0.679836D+00  0.399073D+01
      4   0.624948D+01 -0.267058D+02 -0.105063D+02  0.149940D+01 -0.724250D+01
      5   0.769882D+01 -0.902068D+01 -0.117262D+02  0.183057D+01 -0.492524D+01
      6  -0.181009D+01  0.187161D+02  0.110363D+02 -0.114338D+01  0.939781D+01
               126           127           128           129           130 
      1  -0.687793D+01 -0.460416D+01  0.691099D+01  0.655826D+00  0.759342D+01
      2  -0.359591D+00  0.635450D+01 -0.101268D+02 -0.598410D+00 -0.108398D+02
      3   0.723753D+01 -0.175034D+01  0.321581D+01 -0.574158D-01  0.324640D+01
      4  -0.527424D+01 -0.856934D+01  0.853973D+01  0.545974D+00  0.855772D+01
      5  -0.575886D+01 -0.416407D+00  0.470325D+00  0.212722D+01  0.487605D+00
      6   0.542031D+01  0.397301D+00 -0.890323D+00 -0.218989D+01 -0.120181D+01
               131           132           133           134           135 
      1  -0.205084D+02 -0.189506D+01  0.769102D+00 -0.168094D+01 -0.251393D+00
      2   0.279660D+02  0.158424D+01 -0.106434D+01  0.224606D+01  0.939993D+00
      3  -0.745760D+01  0.310819D+00  0.295240D+00 -0.565122D+00 -0.688600D+00
      4  -0.882093D+01 -0.452211D+00  0.842963D+00 -0.500820D+00 -0.179117D+01
      5  -0.738146D+00 -0.149874D+01  0.730845D+00 -0.484633D+00 -0.607459D+00
      6   0.241941D+01  0.502238D+01 -0.695877D-01  0.150560D+01  0.658873D+00
               136           137           138           139           140 
      1   0.512342D+01  0.431569D+01  0.489455D+00 -0.104307D+01 -0.165288D+02
      2   0.367776D+01  0.577613D+01  0.215293D+00  0.120944D+02  0.398814D+02
      3  -0.880119D+01 -0.100918D+02 -0.704747D+00 -0.110513D+02 -0.233526D+02
      4   0.180837D+02  0.228613D+02  0.257041D+01  0.242502D+02  0.473415D+02
      5   0.228532D+01  0.253195D+01  0.380576D+01  0.276233D+01  0.499936D+01
      6   0.171084D+01  0.202876D+01  0.238350D+01  0.289303D+01  0.699243D+01
               141           142           143           144           145 
      1  -0.199092D+01 -0.103495D-01 -0.177102D+01 -0.167341D+01  0.968665D+02
      2   0.311619D+01  0.136251D+01  0.420309D+01  0.231931D+01 -0.543887D+02
      3  -0.112528D+01 -0.135216D+01 -0.243206D+01 -0.645899D+00 -0.424778D+02
      4   0.516539D+01  0.317090D+01  0.612801D+01  0.212160D+01  0.153852D+02
      5   0.512854D+01  0.986498D+00  0.151575D+01  0.100234D+01  0.480148D+01
      6   0.775220D+01  0.136102D+01  0.325207D+01  0.165636D+01 -0.959891D+00
               146           147           148           149           150 
      1   0.962154D+01  0.306863D+01  0.890483D+01  0.984472D+01  0.102041D+01
      2  -0.468636D+01 -0.210269D+01 -0.382895D+01 -0.448077D+01 -0.791450D+00
      3  -0.493518D+01 -0.965945D+00 -0.507588D+01 -0.536395D+01 -0.228958D+00
      4   0.100651D+02  0.332542D+00  0.162960D+02  0.511492D+01  0.772884D+00
      5   0.317460D+00  0.105343D+02  0.196715D+01  0.780306D+00  0.137345D+01
      6   0.124193D+00  0.903363D+00  0.418386D+00 -0.517708D-01  0.162094D+01
               151           152           153           154           155 
      1   0.393497D+01  0.108332D+01  0.269892D+01  0.219522D+02 -0.137122D+02
      2  -0.222207D+01 -0.580625D+00 -0.183201D+01 -0.386981D+01 -0.113048D+01
      3  -0.171290D+01 -0.502694D+00 -0.866915D+00 -0.180824D+02  0.148427D+02
      4   0.218840D+01  0.886148D+00  0.531180D+00 -0.330956D+02  0.300060D+02
      5   0.215217D+01  0.273107D+00  0.718325D+00 -0.338891D+01  0.236769D+01
      6   0.146535D+00  0.768745D+00  0.173819D+00  0.127558D+01 -0.111160D+01
               156           157           158           159           160 
      1  -0.138286D+01 -0.937310D+01  0.357440D+01  0.425949D+00 -0.404694D+00
      2   0.552037D+00 -0.655293D+01  0.168732D+02  0.410594D+00 -0.699724D+00
      3   0.830825D+00  0.159260D+02 -0.204476D+02 -0.836543D+00  0.110442D+01
      4   0.221596D+01  0.338353D+02 -0.440589D+02 -0.368483D+01  0.310767D+01
      5   0.587329D+01  0.344196D+01 -0.388741D+01 -0.544068D+01  0.166803D+01
      6  -0.317528D+01 -0.212764D+01  0.287098D+01  0.563655D+01 -0.137022D+01
               161           162           163           164           165 
      1   0.613246D-01 -0.192340D+00 -0.519388D+01 -0.904159D+01 -0.129443D+01
      2   0.141768D+01  0.934622D+00  0.675883D+01  0.113521D+02  0.961783D+00
      3  -0.147900D+01 -0.742282D+00 -0.156495D+01 -0.231050D+01  0.332651D+00
      4  -0.378033D+01 -0.204741D+01  0.347296D+01  0.716278D+01  0.718545D+00
      5  -0.179743D+01 -0.759553D+00  0.455233D+00  0.550627D+00  0.121136D+01
      6   0.222176D+01  0.925791D+00  0.124817D+01  0.193794D+01  0.201293D+01
               166           167           168           169           170 
      1  -0.696111D+01 -0.336926D+02 -0.410507D+01 -0.121969D+01 -0.447244D+01
      2   0.886147D+01  0.462129D+02  0.396937D+01  0.157496D+01  0.555727D+01
      3  -0.190036D+01 -0.125204D+02  0.135696D+00 -0.355271D+00 -0.108483D+01
      4   0.527205D+01 -0.115180D+01 -0.436662D+00  0.785059D+00 -0.115042D+00
      5   0.750709D+00 -0.606436D+00 -0.413148D-01  0.203548D+00  0.680280D+00
      6   0.139694D+01  0.700801D+01  0.718064D+01  0.435102D+00  0.264567D+01
               171           172           173           174           175 
      1  -0.165908D+01  0.495653D+01 -0.158168D+01  0.270003D+01 -0.322271D+01
      2   0.234363D+01 -0.293867D+01 -0.333300D+00 -0.195615D+01 -0.112853D+01
      3  -0.684556D+00 -0.201786D+01  0.191498D+01 -0.743885D+00  0.435124D+01
      4   0.131738D+01 -0.127459D+01  0.491054D+01  0.762295D+00  0.916218D+01
      5   0.233207D+00  0.298640D+01  0.759695D+00  0.105242D+01 -0.244699D+01
      6   0.154649D+01  0.107712D+01  0.639502D+00  0.966907D+00  0.223115D+01
               176           177           178           179           180 
      1  -0.619568D+01  0.213840D+01 -0.156155D+00  0.136659D+01 -0.217696D+01
      2   0.187606D+02  0.156603D+01 -0.894694D+00  0.198810D+01  0.132237D+01
      3  -0.125649D+02 -0.370443D+01  0.105085D+01 -0.335469D+01  0.854596D+00
      4  -0.311492D+02  0.133267D+01  0.220516D+01 -0.540994D+01 -0.275199D+01
      5   0.954000D+00 -0.616815D+01  0.149651D+01 -0.264611D+01 -0.941471D+00
      6  -0.116872D+02  0.367528D+01 -0.152007D+00  0.216632D+01 -0.281345D+00
 Leave Link  716 at Fri Aug 13 11:09:58 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.132724D+03 -0.294144D+00  0.727062D+00
      2  -0.294144D+00  0.106101D+03  0.259329D+01
      3   0.727062D+00  0.259329D+01  0.759198D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.370755D+00  0.294957D+01  0.174318D+01
      2   0.106615D+00  0.785082D+01 -0.178041D+02
      3  -0.543689D+01 -0.354342D+02 -0.795742D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.712075D+02  0.741055D+00  0.803152D+00
      2  -0.144968D+02  0.281105D+00 -0.607979D+01
      3  -0.567107D+02 -0.102216D+01  0.527664D+01
      4   0.220269D+01  0.738465D+02  0.179202D+02
      5   0.136944D+02  0.181568D+02 -0.440992D+02
      6   0.740831D+01  0.777732D+01 -0.571280D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.262030D+01 -0.890080D+00 -0.257586D+00 -0.547169D+01 -0.104446D+01
      2  -0.890080D+00  0.313975D+01  0.319904D+00 -0.104446D+01 -0.640527D+00
      3  -0.257586D+00  0.319904D+00  0.134139D+01 -0.515912D+00  0.530979D+00
                 6             7             8             9            10 
      1  -0.515912D+00 -0.129030D+01 -0.351428D+00  0.281179D+01  0.595567D+01
      2   0.530979D+00 -0.351428D+00  0.901572D+00 -0.338789D+01  0.244599D+01
      3  -0.154999D+01  0.281179D+01 -0.338789D+01 -0.815853D+00  0.667816D+00
                11            12            13            14            15 
      1   0.244599D+01  0.667816D+00 -0.712689D+01 -0.285752D+00 -0.563900D-01
      2  -0.234747D+01 -0.118374D-01 -0.285752D+00 -0.152775D+01  0.595682D+00
      3  -0.118374D-01 -0.725621D+00 -0.563900D-01  0.595682D+00 -0.201925D+01
                16            17            18            19            20 
      1  -0.638306D+00  0.585138D+00 -0.120027D+01 -0.180825D+02 -0.123549D+01
      2   0.585138D+00  0.786716D+00 -0.415316D+01 -0.123549D+01 -0.228330D+01
      3  -0.120027D+01 -0.415316D+01 -0.147688D+01 -0.213541D+00  0.215216D-01
                21            22            23            24            25 
      1  -0.213541D+00 -0.252537D+01  0.192065D+01  0.809972D+00 -0.231368D+00
      2   0.215216D-01  0.192065D+01 -0.581211D+00 -0.806310D-01  0.558052D+00
      3  -0.213808D+01  0.809972D+00 -0.806310D-01  0.190915D+00 -0.414047D+01
                26            27            28            29            30 
      1   0.558052D+00 -0.414047D+01  0.432388D+01 -0.707062D+00  0.449961D+00
      2  -0.320255D+00 -0.350347D+00 -0.707062D+00 -0.332941D+01 -0.335952D+00
      3  -0.350347D+00  0.769493D-01  0.449961D+00 -0.335952D+00 -0.118670D+01
                31            32            33            34            35 
      1   0.832851D+01 -0.273788D+00  0.339244D+00  0.141335D+01  0.371773D-01
      2  -0.273788D+00  0.807495D+00 -0.488846D+00  0.371773D-01 -0.819774D+00
      3   0.339244D+00 -0.488846D+00  0.163699D+01 -0.176063D+01  0.332298D+01
                36            37            38            39            40 
      1  -0.176063D+01 -0.483051D+01 -0.462291D+00 -0.425710D+00  0.552486D+01
      2   0.332298D+01 -0.462291D+00  0.192849D+01 -0.286617D-01  0.440139D-01
      3   0.677849D+00 -0.425710D+00 -0.286617D-01  0.724888D+00 -0.430648D-01
                41            42            43            44            45 
      1   0.440139D-01 -0.430648D-01  0.254762D+00 -0.358210D+00  0.194477D+01
      2   0.133414D+01 -0.569677D+00 -0.358210D+00 -0.734493D+00  0.398602D+01
      3  -0.569677D+00  0.181732D+01  0.194477D+01  0.398602D+01  0.134895D+01
                46            47            48            49            50 
      1   0.655916D+01  0.252414D+00  0.267064D-01  0.320355D+00 -0.385372D+00
      2   0.252414D+00  0.316079D+01  0.928761D-01 -0.385372D+00 -0.134561D+00
      3   0.267064D-01  0.928761D-01  0.231244D+01 -0.824882D+00 -0.158233D+00
                51            52            53            54            55 
      1  -0.824882D+00 -0.110013D+00 -0.694289D+00  0.562113D+01  0.351699D+01
      2  -0.158233D+00 -0.694289D+00 -0.469235D-01  0.647605D+00 -0.138256D+00
      3   0.244334D+00  0.562113D+01  0.647605D+00  0.488579D+00 -0.984805D+00
                56            57            58            59            60 
      1  -0.138256D+00 -0.984805D+00 -0.334508D+01  0.106653D+01 -0.109821D+01
      2   0.170804D-01 -0.755237D+00  0.106653D+01  0.611877D+01  0.203177D+01
      3  -0.755237D+00  0.302660D+01 -0.109821D+01  0.203177D+01 -0.107499D+01
                61            62            63            64            65 
      1  -0.871683D+00 -0.813584D+00  0.579721D+01 -0.372596D+01  0.107462D+01
      2  -0.813584D+00  0.139694D+01 -0.238451D+00  0.107462D+01 -0.109878D+00
      3   0.579721D+01 -0.238451D+00 -0.179860D+01 -0.982829D+00  0.941175D+00
                66            67            68            69            70 
      1  -0.982829D+00  0.314004D+01 -0.950544D+00  0.520510D+00 -0.222501D+01
      2   0.941175D+00 -0.950544D+00 -0.469271D+01 -0.120516D+01  0.596692D+00
      3  -0.463246D+01  0.520510D+00 -0.120516D+01  0.306252D+00 -0.470605D+01
                71            72            73            74            75 
      1   0.596692D+00 -0.470605D+01  0.807374D+01  0.201344D+01 -0.495112D+00
      2  -0.575324D+00  0.204948D+00  0.201344D+01 -0.955056D+00  0.733828D+00
      3   0.204948D+00  0.239804D+01 -0.495112D+00  0.733828D+00 -0.346994D+01
                76            77            78            79            80 
      1   0.322011D+01 -0.688636D+00  0.552217D+00  0.390232D+01  0.856989D+00
      2  -0.688636D+00 -0.363801D+01 -0.321045D+01  0.856989D+00 -0.268082D+01
      3   0.552217D+00 -0.321045D+01  0.189992D+01 -0.461730D+01  0.126708D+01
                81            82            83            84            85 
      1  -0.461730D+01  0.169071D+00 -0.134527D+00 -0.702786D+00 -0.714211D+00
      2   0.126708D+01 -0.134527D+00  0.280513D+00 -0.236993D+00 -0.288634D-01
      3   0.871559D+00 -0.702786D+00 -0.236993D+00  0.291862D+01  0.542450D-01
                86            87            88            89            90 
      1  -0.288634D-01  0.542450D-01 -0.147203D+01  0.762309D-01  0.902166D+00
      2   0.130378D+00 -0.829293D+00  0.762309D-01 -0.104863D+01  0.543752D+00
      3  -0.829293D+00 -0.414652D+00  0.902166D+00  0.543752D+00 -0.783339D+01
                91            92            93            94            95 
      1  -0.717536D-01 -0.126745D+01 -0.258783D+00 -0.222932D+01 -0.158909D+01
      2  -0.126745D+01 -0.995567D+00 -0.161621D+00 -0.158909D+01 -0.698503D+01
      3  -0.258783D+00 -0.161621D+00 -0.703197D+00 -0.164626D+00 -0.122350D+01
                96            97            98            99           100 
      1  -0.164626D+00 -0.219396D+00 -0.138104D+00 -0.982902D+00  0.340921D+00
      2  -0.122350D+01 -0.138104D+00 -0.133245D+01 -0.115708D+01 -0.785295D+00
      3  -0.157614D+01 -0.982902D+00 -0.115708D+01 -0.846528D+00  0.791721D+00
               101           102           103           104           105 
      1  -0.785295D+00  0.791721D+00 -0.131997D+01  0.214608D+00 -0.767020D-01
      2   0.877339D+00 -0.785147D+00  0.214608D+00 -0.190767D+01  0.220263D+01
      3  -0.785147D+00  0.226517D+01 -0.767020D-01  0.220263D+01 -0.292326D+01
               106           107           108           109           110 
      1   0.737830D+00 -0.267496D+00  0.512527D+00 -0.129616D+02 -0.156948D+01
      2  -0.267496D+00  0.195177D+01 -0.212198D+01 -0.156948D+01 -0.119626D+01
      3   0.512527D+00 -0.212198D+01  0.513211D+01  0.203946D+01  0.205071D+00
               111           112           113           114           115 
      1   0.203946D+01 -0.224400D+01 -0.144891D+01  0.416239D+00 -0.575613D+00
      2   0.205071D+00 -0.144891D+01 -0.419321D+00  0.528933D+00 -0.379530D-01
      3  -0.164404D+01  0.416239D+00  0.528933D+00 -0.640560D+00 -0.625713D+00
               116           117           118           119           120 
      1  -0.379530D-01 -0.625713D+00 -0.450062D+00  0.608576D+00  0.211976D+00
      2   0.861834D-01 -0.311090D+00  0.608576D+00  0.263567D+00  0.178699D-02
      3  -0.311090D+00  0.129941D-02  0.211976D+00  0.178699D-02  0.710447D+00
               121           122           123           124           125 
      1   0.184057D+01 -0.548768D+00 -0.794823D+00  0.256477D+00 -0.262021D+00
      2  -0.548768D+00  0.535485D+01  0.214341D+01 -0.262021D+00  0.149751D+01
      3  -0.794823D+00  0.214341D+01  0.246540D+01  0.104312D+00  0.110580D+01
               126           127           128           129           130 
      1   0.104312D+00 -0.343094D+01  0.227857D+01  0.117153D+00  0.274445D+01
      2   0.110580D+01  0.227857D+01 -0.245616D+01 -0.149968D+00 -0.284522D+01
      3   0.157425D+01  0.117153D+00 -0.149968D+00 -0.402890D+00 -0.233347D+00
               131           132           133           134           135 
      1  -0.284522D+01 -0.233347D+00  0.180613D+00 -0.275960D+00  0.130770D+00
      2   0.579148D+01  0.446186D+00 -0.275960D+00  0.535997D+00  0.401487D-01
      3   0.446186D+00  0.793748D+00  0.130770D+00  0.401487D-01  0.830603D-01
               136           137           138           139           140 
      1   0.217988D+01  0.256802D+01  0.337145D+00  0.233232D+01  0.379202D+01
      2   0.256802D+01  0.278655D+01  0.343941D+00  0.379202D+01  0.950967D+01
      3   0.337145D+00  0.343941D+00  0.385505D+00  0.475686D+00  0.107004D+01
               141           142           143           144           145 
      1   0.475686D+00  0.483840D+00  0.518804D+00  0.115015D+00  0.128750D+02
      2   0.107004D+01  0.518804D+00  0.122189D+01  0.201490D+00  0.140910D+01
      3   0.105349D+01  0.115015D+00  0.201490D+00  0.152592D+00  0.479554D+00
               146           147           148           149           150 
      1   0.140910D+01  0.479554D+00  0.141106D+01  0.173743D+01  0.236540D+00
      2   0.942100D+00  0.342183D-01  0.173743D+01  0.544467D+00  0.869366D-01
      3   0.342183D-01  0.987876D+00  0.236540D+00  0.869366D-01  0.152752D+00
               151           152           153           154           155 
      1   0.549731D+00  0.239034D+00 -0.504473D-01  0.499290D+01 -0.387198D+01
      2   0.239034D+00  0.645592D-01  0.206693D-01 -0.387198D+01  0.350390D+01
      3  -0.504473D-01  0.206693D-01  0.567330D-01 -0.324917D+00  0.247833D+00
               156           157           158           159           160 
      1  -0.324917D+00 -0.382590D+01  0.445194D+01  0.431775D+00 -0.326915D+00
      2   0.247833D+00  0.445194D+01 -0.659100D+01 -0.571047D+00  0.401159D+00
      3   0.616105D+00  0.431775D+00 -0.571047D+00 -0.846230D+00  0.132172D+00
               161           162           163           164           165 
      1   0.401159D+00  0.132172D+00 -0.151403D+01 -0.170809D+01 -0.243043D+00
      2  -0.696870D+00 -0.750619D-01 -0.170809D+01 -0.224950D+01 -0.296360D+00
      3  -0.750619D-01 -0.681612D-01 -0.243043D+00 -0.296360D+00 -0.252721D+00
               166           167           168           169           170 
      1  -0.167042D+01 -0.189897D+01 -0.277078D+00 -0.510553D-01 -0.355790D+00
      2  -0.189897D+01 -0.876008D+01 -0.994695D+00 -0.355790D+00 -0.116717D+01
      3  -0.277078D+00 -0.994695D+00 -0.100635D+01  0.130033D+00 -0.170202D+00
               171           172           173           174           175 
      1   0.130033D+00 -0.129953D+01  0.119263D+00 -0.232381D+00  0.161058D+01
      2  -0.170202D+00  0.119263D+00 -0.977458D+00 -0.180378D+00 -0.123883D+01
      3  -0.116692D+00 -0.232381D+00 -0.180378D+00 -0.133395D+00  0.248608D+00
               176           177           178           179           180 
      1  -0.123883D+01  0.248608D+00  0.232759D+00 -0.314440D+00 -0.118118D+00
      2   0.628663D+01 -0.305036D+00 -0.314440D+00  0.979578D+00  0.624750D+00
      3  -0.305036D+00  0.149029D+01 -0.118118D+00  0.624750D+00  0.941390D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.883131D+00 -0.415670D+00  0.173209D+01 -0.121746D+01 -0.414146D+00
      2  -0.141086D+00  0.784626D+00  0.244091D+01 -0.342836D+00  0.174454D+01
      3   0.680495D+01 -0.920498D+01 -0.421262D+00  0.847393D+01  0.207393D+01
                 6             7             8             9            10 
      1  -0.146456D+01  0.666421D+01  0.384579D+01  0.525069D+00  0.905934D+00
      2  -0.449739D+01 -0.313405D+01 -0.106544D+02 -0.202080D+01  0.844186D+00
      3  -0.595244D+00  0.719991D+00 -0.144155D+01  0.534906D+01 -0.973592D+01
                11            12            13            14            15 
      1   0.626743D+00 -0.124581D+01  0.323166D+00  0.438643D+00 -0.231368D+01
      2   0.890839D+00 -0.715526D+00  0.176641D+01 -0.311814D+00 -0.129901D+01
      3  -0.474575D+01 -0.143416D+01  0.439479D+01  0.672820D+01 -0.846536D-01
                16            17            18            19            20 
      1  -0.492084D+01  0.604961D+00 -0.326693D+00 -0.139496D+01 -0.910133D-01
      2  -0.129212D+02 -0.206077D+01 -0.128918D+01 -0.334139D+01 -0.410148D-01
      3  -0.583617D+00 -0.670304D+00  0.593686D+01  0.509764D+01  0.713664D+01
                21            22            23            24            25 
      1   0.141069D+00 -0.942212D+00 -0.187944D+01  0.793555D+00 -0.895495D+00
      2  -0.187324D+01 -0.939403D+00  0.675646D+00 -0.100467D+01 -0.165628D+02
      3   0.607068D+00  0.188144D+02  0.118231D+01 -0.684997D-02 -0.985008D+00
                26            27            28            29            30 
      1   0.101517D+02  0.157267D+01  0.140572D+00 -0.294200D+00  0.183470D+01
      2   0.119940D+00 -0.191078D+01  0.531941D+00  0.140286D+00 -0.970500D+00
      3  -0.243845D+00  0.946317D+00 -0.141223D+01  0.802813D+00  0.414456D+00
                31            32            33            34            35 
      1   0.310896D+00  0.535154D-01 -0.165183D+01  0.729268D+01  0.345613D+01
      2   0.179647D+01  0.234936D+00  0.142003D+01 -0.126142D+02  0.510618D+00
      3  -0.185259D+01 -0.704643D+01 -0.236699D+00 -0.107865D+01  0.601846D+00
                36            37            38            39            40 
      1   0.433745D+00 -0.325253D+00  0.735247D+00 -0.166104D+01  0.698419D+00
      2   0.427230D+00 -0.161460D+00  0.118593D+01  0.818723D+00  0.647958D+00
      3  -0.641657D+01  0.487930D+01 -0.146271D+02 -0.142973D+01  0.360427D+01
                41            42            43            44            45 
      1  -0.141858D-01 -0.242555D+01 -0.567030D+01  0.390391D+00 -0.665171D+00
      2  -0.151676D+01  0.408513D+01 -0.782966D+01  0.953950D+01  0.234961D+01
      3  -0.116624D+00  0.107405D+01  0.746845D+00  0.171793D+01 -0.471639D+01
                46            47            48            49            50 
      1   0.467349D+00 -0.315477D+00 -0.593698D+00 -0.183214D-01 -0.108363D+01
      2   0.453680D-02 -0.815944D-01  0.595508D+01 -0.284000D+01 -0.118159D+00
      3  -0.407672D+01 -0.602871D+01 -0.420956D-01  0.115423D+02 -0.376739D+01
                51            52            53            54            55 
      1   0.132732D+01 -0.200320D+01  0.115287D+02  0.152945D+01 -0.519630D+00
      2   0.106284D+01  0.823823D+01  0.270915D+01  0.105750D+01  0.564811D+01
      3   0.200162D-01  0.147663D+01  0.159363D+00 -0.169465D+01 -0.421024D+01
                56            57            58            59            60 
      1  -0.423262D+00  0.204539D+00  0.133248D+01  0.178093D+01 -0.274548D+01
      2   0.125945D+01 -0.284169D+01 -0.401566D+00 -0.513953D+01  0.229867D+01
      3   0.507417D+00 -0.886436D+00  0.111607D+02  0.126305D+02  0.606691D+01
                61            62            63            64            65 
      1   0.167730D+01  0.221205D+01 -0.141085D+01 -0.844339D-01  0.293448D+01
      2  -0.157890D+02  0.474061D+00  0.288164D+01 -0.250176D+01 -0.186185D+01
      3   0.415133D+00  0.618539D+01 -0.459061D+01  0.568867D+01 -0.956480D+01
                66            67            68            69            70 
      1   0.129919D+01 -0.462177D+00  0.796553D+01 -0.206022D+01 -0.618751D+00
      2   0.184561D+02  0.721576D+00  0.247291D+01 -0.146540D-01  0.754039D+01
      3   0.334387D+01 -0.171560D+01 -0.160536D+02 -0.353128D+01  0.149916D+01
                71            72            73            74            75 
      1   0.494428D+01 -0.300807D+01  0.279904D+01 -0.241432D+01  0.463074D+00
      2   0.832747D+00 -0.123451D+02 -0.114853D+02 -0.456130D+01  0.130567D+02
      3  -0.464668D+01 -0.477197D+00  0.554959D+01 -0.688186D+01  0.118795D+01
                76            77            78            79            80 
      1  -0.112448D+00 -0.662285D+01 -0.789548D+01 -0.103802D+01 -0.324949D+01
      2  -0.323069D+01  0.102494D+02 -0.579696D+01  0.831122D+01 -0.425789D+01
      3  -0.973503D+00 -0.118694D+02 -0.101564D+02 -0.630633D+00 -0.995476D+01
                81            82            83            84            85 
      1   0.417411D+01 -0.880015D-01 -0.161575D+01 -0.134755D+01 -0.762285D+00
      2   0.355927D+01  0.477452D+01  0.163041D+00 -0.830368D+01 -0.136417D+01
      3   0.588102D+01 -0.577597D+00  0.981085D+00 -0.579076D+00  0.141984D+01
                86            87            88            89            90 
      1  -0.171050D+00  0.882930D-01 -0.796570D+00  0.258251D+01  0.236713D+01
      2   0.171528D+01  0.986250D+00 -0.757150D+01 -0.149894D+01  0.217751D+02
      3   0.679249D+00 -0.129313D+01 -0.342652D+00 -0.165242D+01  0.297188D+01
                91            92            93            94            95 
      1  -0.149903D+00 -0.693384D-01 -0.690723D+00 -0.229771D+00  0.895573D-01
      2   0.322822D+00  0.164374D+00  0.197017D+01 -0.216441D-01  0.250572D+01
      3  -0.377389D+01 -0.242896D+01 -0.185430D+00  0.238885D+01 -0.133408D+02
                96            97            98            99           100 
      1  -0.330181D+01 -0.546463D+00  0.854654D+00 -0.858861D+00 -0.129938D+01
      2   0.303403D+01  0.303810D+00  0.170417D+01  0.153645D+01 -0.421812D+01
      3  -0.283312D+01  0.447180D+00 -0.278002D+01 -0.116645D+01 -0.289080D+01
               101           102           103           104           105 
      1   0.220865D+01 -0.350270D-01  0.101536D+01 -0.287583D+01  0.105539D+01
      2   0.307068D+01 -0.573288D+01  0.313087D+01 -0.607599D+01  0.738529D+01
      3   0.232743D+01 -0.210560D+01  0.298514D+01 -0.435712D+01  0.539056D+01
               106           107           108           109           110 
      1  -0.185166D+00  0.437310D+01 -0.160255D+01 -0.157071D+01 -0.231774D+01
      2  -0.523150D+01  0.597008D+01 -0.132117D+02  0.100432D+02  0.153060D+01
      3  -0.132163D+01  0.470723D+01 -0.566758D+01 -0.932710D+00 -0.611372D+01
               111           112           113           114           115 
      1  -0.690807D+00 -0.168914D+01 -0.871757D-01 -0.318796D+00 -0.480188D-01
      2   0.540563D+01  0.184273D+01 -0.296978D-02  0.174786D+01  0.650114D+00
      3   0.101480D+00 -0.236650D+01 -0.698206D+00  0.128344D+01  0.169160D+00
               116           117           118           119           120 
      1   0.799133D+00 -0.537838D+00  0.147258D+01  0.888902D+00 -0.328377D+00
      2   0.630727D+00  0.114465D+01 -0.991755D+00 -0.911232D+00 -0.136751D+01
      3   0.114175D+01 -0.621110D+00  0.264533D+01  0.108910D+01  0.927247D-01
               121           122           123           124           125 
      1   0.172333D+00  0.101056D+02  0.859498D+00 -0.333737D+00  0.389617D+01
      2  -0.142971D+01 -0.580447D+01 -0.535274D+01 -0.168902D+01 -0.234881D+01
      3   0.209920D+01  0.157725D+02  0.566073D+01 -0.508150D+00  0.398250D+01
               126           127           128           129           130 
      1   0.157974D+01  0.162298D+00 -0.551051D+00  0.232641D+01  0.956571D-02
      2  -0.379569D+01  0.118783D+01 -0.245270D+00  0.912582D+00 -0.603169D+00
      3   0.283024D+01 -0.995813D+01  0.401965D+01  0.119520D+00  0.746281D+01
               131           132           133           134           135 
      1   0.107888D+00 -0.309271D+01 -0.155406D+00  0.194027D+01 -0.231030D-01
      2   0.587291D+00 -0.137756D+01 -0.177128D+01  0.158014D+00 -0.265989D+00
      3  -0.554701D+01 -0.653248D+00 -0.374821D+00 -0.627089D+00  0.445061D-01
               136           137           138           139           140 
      1  -0.717281D-01  0.765680D-01 -0.160086D+01 -0.792223D-01  0.300042D+00
      2   0.584950D-01  0.232396D+00  0.147245D+01  0.218381D+00  0.146809D+01
      3  -0.710683D+00 -0.246515D+01 -0.180322D+00 -0.133405D+01 -0.137907D+02
               141           142           143           144           145 
      1  -0.443792D+01  0.706601D+00  0.179168D+01 -0.388783D+00 -0.311600D-01
      2   0.298197D+01 -0.596398D+00 -0.373021D+00  0.355607D+00  0.471212D+00
      3  -0.140806D+01 -0.141746D+00 -0.184832D+01 -0.260399D+00 -0.882339D+00
               146           147           148           149           150 
      1   0.181072D+00 -0.689573D+00  0.167279D-01  0.404408D-01 -0.405975D+00
      2  -0.334288D-01  0.620968D+01  0.805764D+00  0.192549D+00  0.880230D+00
      3  -0.531787D+01  0.475490D-01 -0.406223D+01 -0.176773D+01 -0.241851D+00
               151           152           153           154           155 
      1   0.510552D+00  0.442790D+00 -0.468705D-02  0.521853D-01 -0.279858D+00
      2  -0.290487D+01 -0.279371D+00  0.167989D+00 -0.124283D+00  0.889139D-01
      3  -0.707779D+00 -0.345295D+00  0.113428D+00  0.148456D+01 -0.463379D+01
               156           157           158           159           160 
      1   0.228631D+01  0.142872D+00  0.130058D+00 -0.327159D+01 -0.831078D+00
      2   0.295815D+01  0.523172D+00 -0.843395D+00 -0.337308D+01 -0.868388D+00
      3  -0.145210D+00 -0.347021D+01  0.110587D+02  0.793784D+00 -0.547032D+00
               161           162           163           164           165 
      1   0.144926D+01 -0.115343D+00  0.120754D+00  0.980030D-01 -0.147458D+01
      2   0.680214D+00 -0.196588D+00 -0.811843D+00 -0.625791D+00  0.209321D+00
      3   0.108339D+01 -0.149105D+00  0.594411D+01  0.382980D+01  0.551211D+00
               166           167           168           169           170 
      1  -0.301043D-01  0.398096D+00 -0.420247D+01  0.628842D+00  0.198844D+01
      2  -0.709647D+00 -0.125416D+01  0.388608D+00 -0.148700D+01 -0.130348D+00
      3   0.708448D+01  0.886545D+01  0.127305D+01  0.120535D+01  0.123963D+01
               171           172           173           174           175 
      1  -0.351940D+00  0.297585D+00  0.103801D+01  0.706501D-01  0.115976D+01
      2   0.749233D-01  0.251713D+00  0.147155D+00 -0.988285D-01  0.429513D+00
      3  -0.200012D+00  0.121216D+01 -0.173727D+01 -0.352280D+00  0.708092D+00
               176           177           178           179           180 
      1  -0.955883D+01 -0.249763D+01  0.417796D+00 -0.946425D+00 -0.159225D+01
      2  -0.779113D+00 -0.355485D+01 -0.436972D+00 -0.158138D+01 -0.652542D+00
      3   0.192198D+02 -0.163551D+00  0.542256D+00  0.339125D+01  0.188677D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.352746D+01  0.238278D+02  0.252563D+01 -0.287943D+02  0.574077D+01
      2  -0.427824D+00 -0.163235D+02 -0.387887D+00  0.267961D+02 -0.977105D+01
      3   0.395529D+01 -0.750422D+01 -0.213774D+01  0.199821D+01  0.403028D+01
      4   0.136141D+02  0.271560D+01  0.616826D+00 -0.499200D+00  0.100729D+02
      5   0.453429D+00  0.603205D+00  0.472966D+01 -0.335338D+01  0.433262D+01
      6  -0.174902D+00 -0.135752D+01 -0.539312D+01  0.371039D+01 -0.352986D+01
                 6             7             8             9            10 
      1   0.211542D+00 -0.387962D+01  0.201313D+01  0.216998D+01  0.143958D+02
      2  -0.467515D+00  0.519604D+01 -0.406452D+01 -0.804775D+01 -0.943615D+01
      3   0.255973D+00 -0.131642D+01  0.205139D+01  0.587777D+01 -0.495961D+01
      4   0.436262D+01 -0.168415D+01  0.473892D+01 -0.170790D+02 -0.460784D+01
      5  -0.987423D+01  0.200046D+02 -0.170086D+02 -0.438548D+01 -0.471068D+00
      6   0.325241D+01 -0.869337D+01  0.122743D+02 -0.490012D+00 -0.186493D+00
                11            12            13            14            15 
      1  -0.105597D+02 -0.395036D+00 -0.873646D+00  0.966051D+01  0.268810D+01
      2   0.857701D+01  0.121813D+00 -0.934426D+01 -0.156334D+02 -0.418284D+01
      3   0.198274D+01  0.273223D+00  0.102179D+02  0.597289D+01  0.149474D+01
      4  -0.170132D+02 -0.161364D+01  0.984325D+01 -0.144724D+02 -0.956911D+00
      5  -0.150654D+01 -0.296663D+01  0.430641D+00 -0.123631D+01 -0.595600D+00
      6  -0.159544D+00  0.330616D+01 -0.293107D+01 -0.580694D+01  0.531136D+01
                16            17            18            19            20 
      1   0.577845D+00  0.223530D+01 -0.161135D+02 -0.179699D+02 -0.445176D+01
      2  -0.267123D+01 -0.629827D+01  0.374463D+01  0.315687D+01  0.319468D+01
      3   0.209339D+01  0.406297D+01  0.123688D+02  0.148131D+02  0.125707D+01
      4  -0.768969D+00 -0.137409D+01 -0.643996D+01 -0.295062D+01  0.208138D+01
      5   0.539595D+01 -0.507241D+01 -0.184903D+01 -0.144727D+01 -0.843143D+00
      6   0.219260D+01  0.170243D+02  0.280965D+01 -0.230028D+01  0.329704D+00
                21            22            23            24            25 
      1  -0.888540D+00  0.236279D+01 -0.123446D+02 -0.519929D+00 -0.219526D+01
      2  -0.440348D+00 -0.578439D+01  0.188089D+02  0.340268D+01 -0.666579D+00
      3   0.132889D+01  0.342160D+01 -0.646427D+01 -0.288275D+01  0.286184D+01
      4  -0.554453D+00 -0.137210D+02 -0.115323D+01  0.127727D+00 -0.256703D+01
      5   0.280343D+01 -0.308183D+01 -0.894812D-01 -0.139673D+01  0.574126D+01
      6   0.178108D+01 -0.229191D+01  0.317639D+01 -0.272406D+01  0.258693D+01
                26            27            28            29            30 
      1  -0.153855D+01 -0.657370D+01 -0.348656D+01  0.166879D+02  0.157712D+01
      2   0.285909D+01 -0.586200D+01  0.278075D+01 -0.126510D+02  0.630638D+00
      3  -0.132055D+01  0.124357D+02  0.705810D+00 -0.403692D+01 -0.220776D+01
      4   0.977846D+00  0.133865D+00  0.132692D+02 -0.116627D+02 -0.571523D+00
      5   0.106988D+00 -0.210062D+01 -0.916770D+00 -0.863157D+00 -0.255233D+01
      6   0.341576D+01 -0.135040D+01  0.129851D+01 -0.909415D+00 -0.514742D+01
                31            32            33            34            35 
      1  -0.615746D+01  0.514587D+01  0.203832D+01 -0.207380D+01  0.282680D+01
      2   0.168646D+02 -0.885159D+01 -0.146298D+01  0.496268D+01 -0.408445D+01
      3  -0.107071D+02  0.370572D+01 -0.575333D+00 -0.288888D+01  0.125766D+01
      4   0.589513D+01  0.147334D+02  0.175363D+01  0.169281D+01  0.708765D+00
      5   0.457038D+00  0.187868D+01 -0.824868D+00  0.109265D+01  0.950514D+00
      6   0.494350D+01 -0.291103D+01  0.420171D+01 -0.683249D+01  0.122158D+02
                36            37            38            39            40 
      1  -0.152208D+02  0.114797D+02 -0.216138D+02 -0.171478D+01  0.206789D+02
      2   0.297198D+01 -0.126556D+02  0.147223D+02  0.224956D+00 -0.179369D+02
      3   0.122488D+02  0.117595D+01  0.689149D+01  0.148982D+01 -0.274202D+01
      4   0.273255D+01 -0.173779D+02 -0.504218D+01 -0.172589D+01  0.114779D+02
      5  -0.693107D+00 -0.828830D+00 -0.142241D+01  0.237875D+00 -0.437149D+00
      6  -0.350804D+00 -0.281304D+01 -0.555231D-01  0.370762D+01 -0.239146D+01
                41            42            43            44            45 
      1   0.124749D+02  0.221389D+01  0.230494D+01  0.588102D+00 -0.564000D+01
      2  -0.176849D+02 -0.349059D+01 -0.421464D+01 -0.533772D+01 -0.226607D+01
      3   0.520993D+01  0.127669D+01  0.190970D+01  0.474962D+01  0.790607D+01
      4  -0.459672D+01 -0.328891D+01 -0.184376D+01 -0.550216D+01  0.155898D+02
      5  -0.314165D+01  0.861250D+01  0.123274D+02  0.159176D+02  0.511528D+01
      6  -0.584238D+01  0.532355D+01  0.740465D+01  0.161748D+02  0.221901D+01
                46            47            48            49            50 
      1  -0.104004D+02 -0.396155D+01 -0.216148D+01  0.109018D+02 -0.237083D+02
      2   0.835629D+01  0.297494D+01  0.110348D+01 -0.103135D+02  0.206864D+02
      3   0.204415D+01  0.986613D+00  0.105801D+01 -0.588248D+00  0.302189D+01
      4  -0.136853D+01  0.212094D+02  0.770470D+00 -0.202682D+02 -0.210072D+01
      5  -0.275859D+01  0.504798D+00  0.135446D+02 -0.572106D+01 -0.142334D+01
      6   0.994839D+00  0.182741D+00  0.169791D+01 -0.178441D+01  0.241767D+01
                51            52            53            54            55 
      1  -0.430126D+01 -0.169127D+01 -0.473602D+01  0.158026D+02  0.962794D+01
      2   0.468876D+01 -0.660133D+00  0.366015D+01 -0.182837D+02 -0.255403D+01
      3  -0.387498D+00  0.235140D+01  0.107587D+01  0.248104D+01 -0.707391D+01
      4  -0.159495D+01 -0.693287D+01 -0.853148D+00  0.444022D+01  0.505072D+01
      5   0.249393D+01  0.381936D+02  0.443130D+01  0.260607D+01  0.359431D+01
      6  -0.232080D+01  0.288798D+01  0.438344D+01 -0.194225D+01 -0.244005D+00
                56            57            58            59            60 
      1   0.337392D-01  0.628483D+00  0.122507D+02  0.751999D+01  0.392554D+01
      2  -0.546558D+00 -0.283898D+01 -0.131511D+02 -0.153662D+02 -0.690279D+01
      3   0.512819D+00  0.221049D+01  0.900485D+00  0.784625D+01  0.297725D+01
      4  -0.636463D+01  0.244026D+01 -0.589368D+01 -0.253502D+02 -0.976219D+01
      5   0.199999D+01 -0.159706D+02  0.859950D+01 -0.836845D+01  0.685496D+01
      6  -0.158071D+01  0.148376D+01 -0.328219D+01 -0.496451D+01 -0.303660D-01
                61            62            63            64            65 
      1  -0.188396D+01  0.239268D+01 -0.914409D+01  0.245045D+02  0.173363D+00
      2  -0.408083D+01 -0.304300D+01  0.114274D+02 -0.134445D+02 -0.135575D+01
      3   0.596480D+01  0.650319D+00 -0.228326D+01 -0.110600D+02  0.118238D+01
      4   0.619326D+01 -0.922322D+01  0.218199D+01 -0.698814D+01  0.118514D+02
      5  -0.355851D+02  0.134859D+01  0.714037D+01  0.106683D+02 -0.467163D+01
      6   0.142210D+00 -0.349669D+01  0.118816D+01 -0.389300D+01  0.490405D+01
                66            67            68            69            70 
      1  -0.672515D+01 -0.681021D+01  0.703365D+01 -0.184173D+01 -0.111412D+01
      2  -0.732265D+01  0.699322D+01 -0.112998D+02  0.408862D+00 -0.819739D+01
      3   0.140478D+02 -0.183008D+00  0.426614D+01  0.143287D+01  0.931151D+01
      4  -0.379078D+01  0.121515D+02  0.225090D+02  0.747688D+01 -0.430636D+01
      5   0.271730D+02 -0.589128D+01  0.888792D+01 -0.274039D+01  0.316360D+02
      6  -0.412279D+01  0.569510D+01  0.733561D+01  0.509200D+01 -0.348392D+01
                71            72            73            74            75 
      1   0.106011D+01  0.239655D+02 -0.494859D+02 -0.131578D+02  0.129679D+02
      2  -0.258821D+01 -0.817830D+01  0.231738D+02  0.452506D+01  0.268142D+00
      3   0.152810D+01 -0.157872D+02  0.263121D+02  0.863272D+01 -0.132360D+02
      4   0.766701D+01 -0.422038D+01 -0.166057D+02  0.538729D+01 -0.152377D+01
      5  -0.155122D+01  0.476649D+01  0.162087D+02  0.147754D+01  0.138341D+02
      6   0.603856D+01 -0.141339D+01  0.654502D+01 -0.516905D+01  0.317823D+01
                76            77            78            79            80 
      1  -0.145361D+02  0.122344D+02 -0.563856D+01  0.125148D+01 -0.783266D+01
      2   0.922847D+01 -0.208138D+01 -0.137412D+01  0.100172D+02  0.995725D-01
      3   0.530768D+01 -0.101530D+02  0.701268D+01 -0.112687D+02  0.773308D+01
      4   0.281737D+01  0.196074D+02  0.142054D+02 -0.332477D+01  0.131462D+02
      5   0.252264D+01  0.107997D+02 -0.515528D+01  0.256126D+02 -0.282122D+01
      6  -0.105112D+01 -0.939382D+01 -0.117956D+02  0.282824D+01 -0.918782D+01
                81            82            83            84            85 
      1   0.180420D+02  0.405443D+00 -0.960617D-01  0.120470D+02  0.256096D+01
      2  -0.139776D+02 -0.209147D+01  0.242762D+00  0.322831D+01 -0.136659D+01
      3  -0.406432D+01  0.168602D+01 -0.146700D+00 -0.152753D+02 -0.119437D+01
      4  -0.451838D+01  0.646846D+00 -0.164039D+01 -0.312676D+00  0.915050D+00
      5  -0.134216D+02  0.130446D+01  0.991799D+00 -0.598354D+01  0.956539D-01
      6   0.795242D+01  0.489512D+00 -0.181882D+01  0.146950D+01 -0.319809D+00
                86            87            88            89            90 
      1  -0.382274D+01 -0.598442D+00  0.917422D+01  0.183668D+01 -0.274036D+02
      2   0.819339D+00 -0.412125D+00 -0.130196D+01 -0.681293D+00 -0.106998D+02
      3   0.300341D+01  0.101057D+01 -0.787226D+01 -0.115539D+01  0.381034D+02
      4  -0.101644D+01  0.267413D+01 -0.197369D+01  0.304691D+01 -0.944925D-01
      5   0.189405D+01  0.895808D+00  0.180635D+01 -0.201026D+01  0.235241D+02
      6  -0.711437D+00  0.606387D+01  0.585428D+00  0.452670D+01 -0.477414D+01
                91            92            93            94            95 
      1   0.150965D+01  0.330189D+01  0.117190D+01  0.107380D+01 -0.131899D+02
      2   0.269136D+01 -0.104527D+00  0.345575D-01  0.335511D+01  0.258437D+02
      3  -0.420101D+01 -0.319737D+01 -0.120645D+01 -0.442891D+01 -0.126538D+02
      4   0.736081D+01  0.986659D+01  0.166564D+01  0.111123D+02  0.298847D+02
      5   0.184625D+01  0.166165D+01  0.494658D+01  0.141009D+01  0.473790D+01
      6   0.213019D+01  0.905056D+00  0.342819D+00  0.112677D+01  0.774831D+01
                96            97            98            99           100 
      1  -0.248847D+01  0.685016D+00 -0.265689D+01 -0.275183D+01 -0.234280D+01
      2   0.366538D+01  0.422463D+00  0.275100D+01  0.184374D+01 -0.332675D+00
      3  -0.117691D+01 -0.110748D+01 -0.941058D-01  0.908094D+00  0.267548D+01
      4   0.528431D+01  0.156267D+01  0.549144D+01  0.489119D+01  0.192170D+01
      5   0.674540D+01  0.585917D+01  0.451058D+01  0.316620D+01  0.397647D+00
      6   0.584270D+01  0.148746D+01  0.760186D+01  0.350990D+01 -0.354415D+01
               101           102           103           104           105 
      1   0.670570D+01 -0.104548D+02  0.680890D+01 -0.112741D+02  0.112587D+02
      2  -0.239900D+01 -0.489502D+00 -0.373765D+01  0.491027D+01  0.429305D+00
      3  -0.430669D+01  0.109443D+02 -0.307124D+01  0.636383D+01 -0.116880D+02
      4  -0.207464D+01  0.147674D+01  0.168054D+01  0.657429D+01 -0.869879D+01
      5  -0.305668D+00 -0.327061D+01 -0.407495D+01 -0.645210D+01  0.952033D+01
      6   0.483433D+01 -0.493006D+01  0.993779D+00 -0.103247D+02  0.127952D+02
               106           107           108           109           110 
      1  -0.607794D+01  0.967771D+01 -0.215746D+02  0.793934D+02  0.897641D+01
      2   0.105157D+01  0.486318D+00 -0.592140D+01 -0.421220D+02 -0.340900D+01
      3   0.502637D+01 -0.101640D+02  0.274960D+02 -0.372713D+02 -0.556741D+01
      4  -0.238635D+00 -0.804209D+01  0.802498D+01  0.156220D+02  0.121722D+02
      5   0.387439D+01  0.650403D+01 -0.154206D+02 -0.318628D+02 -0.382297D+01
      6  -0.146676D+01  0.112920D+02 -0.138269D+02 -0.494645D+01 -0.387141D+01
               111           112           113           114           115 
      1  -0.794748D+01  0.108060D+02  0.634752D+01 -0.412780D-01  0.306141D+01
      2   0.803377D+01 -0.444205D+01 -0.228647D+01  0.129369D+01  0.744509D+00
      3  -0.862862D-01 -0.636397D+01 -0.406105D+01 -0.125242D+01 -0.380592D+01
      4  -0.210228D+01  0.135897D+02  0.444426D+01 -0.304681D+01  0.391943D+00
      5   0.155625D+02 -0.561750D+01 -0.430053D+01  0.383731D+01  0.769660D+01
      6   0.158197D+01 -0.349048D+01 -0.867944D+00  0.298357D+01  0.859430D+00
               116           117           118           119           120 
      1   0.981593D+00  0.396100D+01  0.376093D+01 -0.277105D+01 -0.389794D+01
      2   0.507964D+00 -0.303260D+01 -0.117105D+01  0.189747D+01  0.277134D+00
      3  -0.148956D+01 -0.928393D+00 -0.258988D+01  0.873578D+00  0.362081D+01
      4  -0.747911D+00  0.225223D+01 -0.188302D+01  0.106965D+01  0.672653D+00
      5   0.178428D+01 -0.160763D+01 -0.218378D+01  0.179208D+01 -0.772567D+00
      6   0.188011D+01 -0.103825D+01  0.189514D+01  0.103763D+01  0.142820D+00
               121           122           123           124           125 
      1  -0.597422D+01 -0.904572D+01 -0.422903D+01 -0.153684D+01 -0.316368D+01
      2   0.384130D+01  0.816108D+01 -0.199299D+01  0.857006D+00 -0.827058D+00
      3   0.213292D+01  0.884634D+00  0.622202D+01  0.679836D+00  0.399073D+01
      4   0.624948D+01 -0.267058D+02 -0.105063D+02  0.149940D+01 -0.724250D+01
      5   0.769882D+01 -0.902068D+01 -0.117262D+02  0.183057D+01 -0.492524D+01
      6  -0.181009D+01  0.187161D+02  0.110363D+02 -0.114338D+01  0.939781D+01
               126           127           128           129           130 
      1  -0.687793D+01 -0.460416D+01  0.691099D+01  0.655826D+00  0.759342D+01
      2  -0.359591D+00  0.635450D+01 -0.101268D+02 -0.598410D+00 -0.108398D+02
      3   0.723753D+01 -0.175034D+01  0.321581D+01 -0.574158D-01  0.324640D+01
      4  -0.527424D+01 -0.856934D+01  0.853973D+01  0.545974D+00  0.855772D+01
      5  -0.575886D+01 -0.416407D+00  0.470325D+00  0.212722D+01  0.487605D+00
      6   0.542031D+01  0.397301D+00 -0.890323D+00 -0.218989D+01 -0.120181D+01
               131           132           133           134           135 
      1  -0.205084D+02 -0.189506D+01  0.769102D+00 -0.168094D+01 -0.251393D+00
      2   0.279660D+02  0.158424D+01 -0.106434D+01  0.224606D+01  0.939993D+00
      3  -0.745760D+01  0.310819D+00  0.295240D+00 -0.565122D+00 -0.688600D+00
      4  -0.882093D+01 -0.452211D+00  0.842963D+00 -0.500820D+00 -0.179117D+01
      5  -0.738146D+00 -0.149874D+01  0.730845D+00 -0.484633D+00 -0.607459D+00
      6   0.241941D+01  0.502238D+01 -0.695877D-01  0.150560D+01  0.658873D+00
               136           137           138           139           140 
      1   0.512342D+01  0.431569D+01  0.489455D+00 -0.104307D+01 -0.165288D+02
      2   0.367776D+01  0.577613D+01  0.215293D+00  0.120944D+02  0.398814D+02
      3  -0.880119D+01 -0.100918D+02 -0.704747D+00 -0.110513D+02 -0.233526D+02
      4   0.180837D+02  0.228613D+02  0.257041D+01  0.242502D+02  0.473415D+02
      5   0.228532D+01  0.253195D+01  0.380576D+01  0.276233D+01  0.499936D+01
      6   0.171084D+01  0.202876D+01  0.238350D+01  0.289303D+01  0.699243D+01
               141           142           143           144           145 
      1  -0.199092D+01 -0.103495D-01 -0.177102D+01 -0.167341D+01  0.968665D+02
      2   0.311619D+01  0.136251D+01  0.420309D+01  0.231931D+01 -0.543887D+02
      3  -0.112528D+01 -0.135216D+01 -0.243206D+01 -0.645899D+00 -0.424778D+02
      4   0.516539D+01  0.317090D+01  0.612801D+01  0.212160D+01  0.153852D+02
      5   0.512854D+01  0.986498D+00  0.151575D+01  0.100234D+01  0.480148D+01
      6   0.775220D+01  0.136102D+01  0.325207D+01  0.165636D+01 -0.959891D+00
               146           147           148           149           150 
      1   0.962154D+01  0.306863D+01  0.890483D+01  0.984472D+01  0.102041D+01
      2  -0.468636D+01 -0.210269D+01 -0.382895D+01 -0.448077D+01 -0.791450D+00
      3  -0.493518D+01 -0.965945D+00 -0.507588D+01 -0.536395D+01 -0.228958D+00
      4   0.100651D+02  0.332542D+00  0.162960D+02  0.511492D+01  0.772884D+00
      5   0.317460D+00  0.105343D+02  0.196715D+01  0.780306D+00  0.137345D+01
      6   0.124193D+00  0.903363D+00  0.418386D+00 -0.517708D-01  0.162094D+01
               151           152           153           154           155 
      1   0.393497D+01  0.108332D+01  0.269892D+01  0.219522D+02 -0.137122D+02
      2  -0.222207D+01 -0.580625D+00 -0.183201D+01 -0.386981D+01 -0.113048D+01
      3  -0.171290D+01 -0.502694D+00 -0.866915D+00 -0.180824D+02  0.148427D+02
      4   0.218840D+01  0.886148D+00  0.531180D+00 -0.330956D+02  0.300060D+02
      5   0.215217D+01  0.273107D+00  0.718325D+00 -0.338891D+01  0.236769D+01
      6   0.146535D+00  0.768745D+00  0.173819D+00  0.127558D+01 -0.111160D+01
               156           157           158           159           160 
      1  -0.138286D+01 -0.937310D+01  0.357440D+01  0.425949D+00 -0.404694D+00
      2   0.552037D+00 -0.655293D+01  0.168732D+02  0.410594D+00 -0.699724D+00
      3   0.830825D+00  0.159260D+02 -0.204476D+02 -0.836543D+00  0.110442D+01
      4   0.221596D+01  0.338353D+02 -0.440589D+02 -0.368483D+01  0.310767D+01
      5   0.587329D+01  0.344196D+01 -0.388741D+01 -0.544068D+01  0.166803D+01
      6  -0.317528D+01 -0.212764D+01  0.287098D+01  0.563655D+01 -0.137022D+01
               161           162           163           164           165 
      1   0.613246D-01 -0.192340D+00 -0.519388D+01 -0.904159D+01 -0.129443D+01
      2   0.141768D+01  0.934622D+00  0.675883D+01  0.113521D+02  0.961783D+00
      3  -0.147900D+01 -0.742282D+00 -0.156495D+01 -0.231050D+01  0.332651D+00
      4  -0.378033D+01 -0.204741D+01  0.347296D+01  0.716278D+01  0.718545D+00
      5  -0.179743D+01 -0.759553D+00  0.455233D+00  0.550627D+00  0.121136D+01
      6   0.222176D+01  0.925791D+00  0.124817D+01  0.193794D+01  0.201293D+01
               166           167           168           169           170 
      1  -0.696111D+01 -0.336926D+02 -0.410507D+01 -0.121969D+01 -0.447244D+01
      2   0.886147D+01  0.462129D+02  0.396937D+01  0.157496D+01  0.555727D+01
      3  -0.190036D+01 -0.125204D+02  0.135696D+00 -0.355271D+00 -0.108483D+01
      4   0.527205D+01 -0.115180D+01 -0.436662D+00  0.785059D+00 -0.115042D+00
      5   0.750709D+00 -0.606436D+00 -0.413148D-01  0.203548D+00  0.680280D+00
      6   0.139694D+01  0.700801D+01  0.718064D+01  0.435102D+00  0.264567D+01
               171           172           173           174           175 
      1  -0.165908D+01  0.495653D+01 -0.158168D+01  0.270003D+01 -0.322271D+01
      2   0.234363D+01 -0.293867D+01 -0.333300D+00 -0.195615D+01 -0.112853D+01
      3  -0.684556D+00 -0.201786D+01  0.191498D+01 -0.743885D+00  0.435124D+01
      4   0.131738D+01 -0.127459D+01  0.491054D+01  0.762295D+00  0.916218D+01
      5   0.233207D+00  0.298640D+01  0.759695D+00  0.105242D+01 -0.244699D+01
      6   0.154649D+01  0.107712D+01  0.639502D+00  0.966907D+00  0.223115D+01
               176           177           178           179           180 
      1  -0.619568D+01  0.213840D+01 -0.156155D+00  0.136659D+01 -0.217696D+01
      2   0.187606D+02  0.156603D+01 -0.894694D+00  0.198810D+01  0.132237D+01
      3  -0.125649D+02 -0.370443D+01  0.105085D+01 -0.335469D+01  0.854596D+00
      4  -0.311492D+02  0.133267D+01  0.220516D+01 -0.540994D+01 -0.275199D+01
      5   0.954000D+00 -0.616815D+01  0.149651D+01 -0.264611D+01 -0.941471D+00
      6  -0.116872D+02  0.367528D+01 -0.152007D+00  0.216632D+01 -0.281345D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.390801D+00      0.993318D+00      0.331335D+01
   x          0.360882D+00      0.917270D+00      0.305968D+01
   y          0.147143D+00      0.374000D+00      0.124753D+01
   z          0.289654D-01      0.736228D-01      0.245579D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993223D+02      0.147180D+02      0.163760D+02
   aniso      0.479397D+02      0.710394D+01      0.790420D+01
   xx         0.125906D+03      0.186573D+02      0.207590D+02
   yx        -0.533706D+00     -0.790871D-01     -0.879962D-01
   yy         0.101148D+03      0.149886D+02      0.166770D+02
   zx         0.422352D+00      0.625861D-01      0.696364D-01
   zy         0.265997D+01      0.394167D+00      0.438570D+00
   zz         0.709135D+02      0.105083D+02      0.116920D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.104915D+03      0.155468D+02      0.172981D+02
   aniso      0.494489D+02      0.732757D+01      0.815302D+01
   xx         0.132724D+03      0.196676D+02      0.218832D+02
   yx        -0.294144D+00     -0.435876D-01     -0.484978D-01
   yy         0.106101D+03      0.157226D+02      0.174937D+02
   zx         0.727062D+00      0.107739D+00      0.119876D+00
   zy         0.259329D+01      0.384285D+00      0.427575D+00
   zz         0.759198D+02      0.112502D+02      0.125175D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.65449704         -2.97307924          2.90914220
     6          1.34761485         -2.39847818          0.36234366
     6          0.17708052         -0.16648001         -0.39438172
     6         -0.68420525          1.48842862          1.46956773
     6         -0.38526242          0.92692898          4.01368158
     6          0.78751187         -1.31047979          4.74431314
     6         -0.16572984          0.42570219         -3.18565930
     7          0.83987739          2.88108287         -3.98797758
     6         -2.93996066          0.25136088         -3.96403369
     1          2.63133418          3.11106598         -3.34898154
     1          0.88121588         -1.00928186         -4.24276135
     1         -3.71483254         -1.60132798         -3.50444705
     1         -3.12991415          0.58103997         -5.98901162
     1         -4.06529182          1.66701872         -2.96561715
     1         -1.59500067          3.24169522          0.93110753
     1         -1.06735647          2.23461291          5.43188537
     1          1.02573192         -1.74753345          6.72804857
     1          2.57595635         -4.71597170          3.45629751
     1          2.03153597         -3.70193384         -1.06243110
     1         -0.20178215          4.30960981         -3.24808267

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.390801D+00      0.993318D+00      0.331335D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.390801D+00      0.993318D+00      0.331335D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993223D+02      0.147180D+02      0.163760D+02
   aniso      0.479397D+02      0.710394D+01      0.790420D+01
   xx         0.779180D+02      0.115463D+02      0.128469D+02
   yx        -0.140298D+02     -0.207899D+01     -0.231319D+01
   yy         0.981200D+02      0.145399D+02      0.161778D+02
   zx         0.555704D+01      0.823468D+00      0.916232D+00
   zy        -0.728247D+01     -0.107915D+01     -0.120072D+01
   zz         0.121929D+03      0.180680D+02      0.201034D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.104915D+03      0.155468D+02      0.172981D+02
   aniso      0.494489D+02      0.732757D+01      0.815302D+01
   xx         0.828080D+02      0.122709D+02      0.136532D+02
   yx        -0.139550D+02     -0.206792D+01     -0.230087D+01
   yy         0.103260D+03      0.153015D+02      0.170252D+02
   zx         0.562487D+01      0.833519D+00      0.927415D+00
   zy        -0.778657D+01     -0.115385D+01     -0.128383D+01
   zz         0.128677D+03      0.190680D+02      0.212160D+02

 ----------------------------------------------------------------------
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 A SOLDIER'S LIFE IS A LIFE OF HONOR, BUT A DOG WOULD NOT LEAD IT.
 -- PRINCE RUPERT, FOUNDER OF THE HUDSON'S BAY COMPANY
 Job cpu time:       0 days  3 hours  2 minutes 10.4 seconds.
 Elapsed time:       0 days  0 hours 22 minutes 49.3 seconds.
 File lengths (MBytes):  RWF=    233 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 11:09:59 2021.
